N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane

C25H38N2O2 — CID 145207801

IUPACN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
SMILESC#CCN(C(=O)c1ccccc1C)C(C(=O)NCCCC)C1CCCCC1.CC
InChIInChI=1S/C23H32N2O2.C2H6/c1-4-6-16-24-22(26)21(19-13-8-7-9-14-19)25(17-5-2)23(27)20-15-11-10-12-18(20)3;1-2/h2,10-12,15,19,21H,4,6-9,13-14,16-17H2,1,3H3,(H,24,26);1-2H3
InChIKeyKBGSGRIRZZRKRB-UHFFFAOYSA-N
MW398.59 g/mol
LogP4.96
Rot. Bonds8

About N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane (PubChem CID 145207801) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane.

Molecular Properties

Compound NameN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
PubChem CID145207801
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
SMILESC#CCN(C(=O)c1ccccc1C)C(C(=O)NCCCC)C1CCCCC1.CC
InChIInChI=1S/C23H32N2O2.C2H6/c1-4-6-16-24-22(26)21(19-13-8-7-9-14-19)25(17-5-2)23(27)20-15-11-10-12-18(20)3;1-2/h2,10-12,15,19,21H,4,6-9,13-14,16-17H2,1,3H3,(H,24,26);1-2H3
InChIKeyKBGSGRIRZZRKRB-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 155088072
N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide
CID 155088191
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-methylsulfanylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-(trifluoromethyl)benzamide;N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methylsulfanylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 157148622
N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 155088094
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide
CID 140923009
2-[3-[[2-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 155273529
N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide
CID 145207815
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)
CID 158480946
N-benzyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-hexyl-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodo-N-prop-2-enylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodobenzamide;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 159140811
N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide
CID 145207901
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane?
The IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane (CID 145207801) is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane.
What is the SMILES notation for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane?
The canonical SMILES for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane is C#CCN(C(=O)c1ccccc1C)C(C(=O)NCCCC)C1CCCCC1.CC.
What is the InChIKey of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane?
The InChIKey is KBGSGRIRZZRKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.C2H6/c1-4-6-16-24-22(26)21(19-13-8-7-9-14-19)25(17-5-2)23(27)20-15-11-10-12-18(20)3;1-2/h2,10-12,15,19,21H,4,6-9,13-14,16-17H2,1,3H3,(H,24,26);1-2H3.
What are the key properties of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane?
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane has a molecular weight of 398.59 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane is sourced from PubChem (CID 145207801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).