(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide

C16H22N2O — CID 115342655

IUPAC(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
SMILESCC1CCCCC1NC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C16H22N2O/c1-12-5-2-3-8-15(12)18-16(19)10-9-13-6-4-7-14(17)11-13/h4,6-7,9-12,15H,2-3,5,8,17H2,1H3,(H,18,19)/b10-9+
InChIKeyKWDSDVBQQKURRA-MDZDMXLPSA-N
MW258.37 g/mol
LogP2.98
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide (PubChem CID 115342655) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
PubChem CID115342655
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
SMILESCC1CCCCC1NC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C16H22N2O/c1-12-5-2-3-8-15(12)18-16(19)10-9-13-6-4-7-14(17)11-13/h4,6-7,9-12,15H,2-3,5,8,17H2,1H3,(H,18,19)/b10-9+
InChIKeyKWDSDVBQQKURRA-MDZDMXLPSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.98
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)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
CID 43010855
(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082
(E)-N-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6219909
(E)-N-[(1S,2R)-2-methylcyclohexyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7478919
(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide
CID 115344331
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 6981079
(E)-3-(3-aminophenyl)-N-(3,3-dimethylcyclohexyl)prop-2-enamide
CID 115344818
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(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
methyl 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]benzoate
CID 8902193
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide (CID 115342655) is (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide is CC1CCCCC1NC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
The InChIKey is KWDSDVBQQKURRA-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-2-3-8-15(12)18-16(19)10-9-13-6-4-7-14(17)11-13/h4,6-7,9-12,15H,2-3,5,8,17H2,1H3,(H,18,19)/b10-9+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide has a molecular weight of 258.37 g/mol, XLogP of 2.98, 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-(2-methylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 115342655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).