(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide

C17H24N2O2 — CID 39390754

IUPAC(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1N
InChIInChI=1S/C17H24N2O2/c1-21-16-10-8-13(12-15(16)18)9-11-17(20)19-14-6-4-2-3-5-7-14/h8-12,14H,2-7,18H2,1H3,(H,19,20)/b11-9+
InChIKeyUSPRCUKGEVIPSZ-PKNBQFBNSA-N
MW288.39 g/mol
LogP3.13
Rot. Bonds4

About (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide

(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide (PubChem CID 39390754) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
PubChem CID39390754
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1N
InChIInChI=1S/C17H24N2O2/c1-21-16-10-8-13(12-15(16)18)9-11-17(20)19-14-6-4-2-3-5-7-14/h8-12,14H,2-7,18H2,1H3,(H,19,20)/b11-9+
InChIKeyUSPRCUKGEVIPSZ-PKNBQFBNSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 94759664
(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201331
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 78911756
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 26709178
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 6981079
[4-[(E)-3-[(4,4-dimethylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 19004770
3-[4-(2-chloroethoxy)-3-methoxyphenyl]-N-(4-methylcyclohexyl)prop-2-enamide
CID 54496870

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide (CID 39390754) is (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide is COc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1N.
What is the InChIKey of (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide?
The InChIKey is USPRCUKGEVIPSZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16-10-8-13(12-15(16)18)9-11-17(20)19-14-6-4-2-3-5-7-14/h8-12,14H,2-7,18H2,1H3,(H,19,20)/b11-9+.
What are the key properties of (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide?
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide is sourced from PubChem (CID 39390754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).