N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide

C19H26N2O3 — CID 8713321

IUPACN-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-17-10-7-15(8-11-17)9-12-18(22)20-14-13-19(23)21-16-5-3-2-4-6-16/h7-12,16H,2-6,13-14H2,1H3,(H,20,22)(H,21,23)/b12-9+
InChIKeyNDJJKTJMLUJWNO-FMIVXFBMSA-N
MW330.43 g/mol
LogP2.66
Rot. Bonds7

About N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide

N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide (PubChem CID 8713321) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
PubChem CID8713321
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-17-10-7-15(8-11-17)9-12-18(22)20-14-13-19(23)21-16-5-3-2-4-6-16/h7-12,16H,2-6,13-14H2,1H3,(H,20,22)(H,21,23)/b12-9+
InChIKeyNDJJKTJMLUJWNO-FMIVXFBMSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide 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

N-[3-(cyclohexylamino)-3-oxopropyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55951186
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4803375
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
[2-(cyclohexylamino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoate
CID 4876280
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclohexyl-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 28587889
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide (CID 8713321) is N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide is COc1ccc(/C=C/C(=O)NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
The InChIKey is NDJJKTJMLUJWNO-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-17-10-7-15(8-11-17)9-12-18(22)20-14-13-19(23)21-16-5-3-2-4-6-16/h7-12,16H,2-6,13-14H2,1H3,(H,20,22)(H,21,23)/b12-9+.
What are the key properties of N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 8713321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).