N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide

C95H177ClN10O8 — CID 159834640

IUPACN-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide
SMILESC.C.C.C.C.C.C=C(NC(C)C)c1ccc(Cl)cc1.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C1CCCC1.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1.CC1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C11H14ClN.C11H21NO.C11H15NO.C10H20N2O.2C10H19NO.C10H13NO.C9H17NO.C7H15NO.6CH4/c1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-8(2)11-10(13)9-4-6-12(3)7-5-9;3*1-8(2)11-10(12)9-6-4-3-5-7-9;1-7(2)10-9(11)8-5-3-4-6-8;1-5(2)7(9)8-6(3)4;;;;;;/h4-8,13H,3H2,1-2H3;8-10H,4-7H2,1-3H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);2*8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);7-8H,3-6H2,1-2H3,(H,10,11);5-6H,1-4H3,(H,8,9);6*1H4
InChIKeyNNXCLXJWRJPNTH-UHFFFAOYSA-N
MW1622.98 g/mol
LogP20.94
Rot. Bonds20

About N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide

N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide (PubChem CID 159834640) has the molecular formula C95H177ClN10O8 and a molecular weight of 1622.98 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide
PubChem CID159834640
Molecular FormulaC95H177ClN10O8
Molecular Weight1622.98 g/mol
Exact Mass1621.34
IUPAC NameN-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide
SMILESC.C.C.C.C.C.C=C(NC(C)C)c1ccc(Cl)cc1.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C1CCCC1.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1.CC1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C11H14ClN.C11H21NO.C11H15NO.C10H20N2O.2C10H19NO.C10H13NO.C9H17NO.C7H15NO.6CH4/c1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-8(2)11-10(13)9-4-6-12(3)7-5-9;3*1-8(2)11-10(12)9-6-4-3-5-7-9;1-7(2)10-9(11)8-5-3-4-6-8;1-5(2)7(9)8-6(3)4;;;;;;/h4-8,13H,3H2,1-2H3;8-10H,4-7H2,1-3H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);2*8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);7-8H,3-6H2,1-2H3,(H,10,11);5-6H,1-4H3,(H,8,9);6*1H4
InChIKeyNNXCLXJWRJPNTH-UHFFFAOYSA-N
XLogP20.94
TPSA248.07 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001622.98
LogP ≤ 520.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Analyze N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide with MolForge

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Related Compounds

tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine
CID 159539907
tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine
CID 160644330
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
4-chloro-N-propan-2-ylbenzamide
CID 24045
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide (CID 159834640) is N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide is C.C.C.C.C.C.C=C(NC(C)C)c1ccc(Cl)cc1.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C1CCCC1.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1.CC1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is NNXCLXJWRJPNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN.C11H21NO.C11H15NO.C10H20N2O.2C10H19NO.C10H13NO.C9H17NO.C7H15NO.6CH4/c1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-8(2)11-10(13)9-4-6-12(3)7-5-9;3*1-8(2)11-10(12)9-6-4-3-5-7-9;1-7(2)10-9(11)8-5-3-4-6-8;1-5(2)7(9)8-6(3)4;;;;;;/h4-8,13H,3H2,1-2H3;8-10H,4-7H2,1-3H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);2*8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);7-8H,3-6H2,1-2H3,(H,10,11);5-6H,1-4H3,(H,8,9);6*1H4.
What are the key properties of N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide?
N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 1622.98 g/mol, XLogP of 20.94, 20 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 159834640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).