(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide

C17H24N2O — CID 115344331

IUPAC(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide
SMILESCC1CC(C)CC(NC(=O)/C=C/c2cccc(N)c2)C1
InChIInChI=1S/C17H24N2O/c1-12-8-13(2)10-16(9-12)19-17(20)7-6-14-4-3-5-15(18)11-14/h3-7,11-13,16H,8-10,18H2,1-2H3,(H,19,20)/b7-6+
InChIKeySBXVGLOUCOKZQZ-VOTSOKGWSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide (PubChem CID 115344331) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide
PubChem CID115344331
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide
SMILESCC1CC(C)CC(NC(=O)/C=C/c2cccc(N)c2)C1
InChIInChI=1S/C17H24N2O/c1-12-8-13(2)10-16(9-12)19-17(20)7-6-14-4-3-5-15(18)11-14/h3-7,11-13,16H,8-10,18H2,1-2H3,(H,19,20)/b7-6+
InChIKeySBXVGLOUCOKZQZ-VOTSOKGWSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 115342655
(E)-3-(3-aminophenyl)-N-(3,3-dimethylcyclohexyl)prop-2-enamide
CID 115344818
(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549911
(E)-3-(3-aminophenyl)-N-[(4-methylcyclohexyl)methyl]prop-2-enamide
CID 115344108
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide
CID 115343588
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
4-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 115344534
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(3,3,5-trimethylcyclohexyl) (E)-3-(3-aminophenyl)prop-2-enoate
CID 115340459
ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide (CID 115344331) is (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide is CC1CC(C)CC(NC(=O)/C=C/c2cccc(N)c2)C1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide?
The InChIKey is SBXVGLOUCOKZQZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-8-13(2)10-16(9-12)19-17(20)7-6-14-4-3-5-15(18)11-14/h3-7,11-13,16H,8-10,18H2,1-2H3,(H,19,20)/b7-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 115344331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).