(Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

C18H25N3O2 — CID 129442354

IUPAC(Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCN(C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)/C=C\c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-21(2)16-10-6-9-15(16)20-18(23)13-19-17(22)12-11-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16H,6,9-10,13H2,1-2H3,(H,19,22)(H,20,23)/b12-11-/t15-,16-/m1/s1
InChIKeyGKCPWLCZHXSSAJ-BSQDILAGSA-N
MW315.42 g/mol
LogP1.41
Rot. Bonds6

About (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

(Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 129442354) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID129442354
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCN(C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)/C=C\c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-21(2)16-10-6-9-15(16)20-18(23)13-19-17(22)12-11-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16H,6,9-10,13H2,1-2H3,(H,19,22)(H,20,23)/b12-11-/t15-,16-/m1/s1
InChIKeyGKCPWLCZHXSSAJ-BSQDILAGSA-N
XLogP1.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-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

(1S)-2-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]cyclohexane-1-carboxamide
CID 138497378
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
(Z)-but-2-enedioic acid;trans-(1R,2R)-2-N-benzyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 70590961
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide
CID 92662561

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 129442354) is (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is CN(C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is GKCPWLCZHXSSAJ-BSQDILAGSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21(2)16-10-6-9-15(16)20-18(23)13-19-17(22)12-11-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16H,6,9-10,13H2,1-2H3,(H,19,22)(H,20,23)/b12-11-/t15-,16-/m1/s1.
What are the key properties of (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
(Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 315.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 129442354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).