(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide

C24H26N2O2 — CID 1334632

IUPAC(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H26N2O2/c27-23(17-15-19-9-3-1-4-10-19)25-21-13-7-8-14-22(21)26-24(28)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,21-22H,7-8,13-14H2,(H,25,27)(H,26,28)/b17-15+,18-16+/t21-,22-/m0/s1
InChIKeyLQZUNAPYHWPRBG-IMWRMMLDSA-N
MW374.48 g/mol
LogP3.96
Rot. Bonds6

About (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide

(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide (PubChem CID 1334632) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
PubChem CID1334632
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H26N2O2/c27-23(17-15-19-9-3-1-4-10-19)25-21-13-7-8-14-22(21)26-24(28)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,21-22H,7-8,13-14H2,(H,25,27)(H,26,28)/b17-15+,18-16+/t21-,22-/m0/s1
InChIKeyLQZUNAPYHWPRBG-IMWRMMLDSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-3-phenylprop-2-enamide
CID 138380557
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
N-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]-1,1-dioxothiolan-3-yl]-3-phenylprop-2-enamide
CID 171146740
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide
CID 14965454
(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
CID 43010855
cis-(1R,2S)-N-[(R)-cyano(phenyl)methyl]-2-[[(Z)-3-phenylprop-2-enoyl]amino]cyclohexane-1-carboxamide
CID 10178290

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide (CID 1334632) is (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide is O=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
The InChIKey is LQZUNAPYHWPRBG-IMWRMMLDSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-23(17-15-19-9-3-1-4-10-19)25-21-13-7-8-14-22(21)26-24(28)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,21-22H,7-8,13-14H2,(H,25,27)(H,26,28)/b17-15+,18-16+/t21-,22-/m0/s1.
What are the key properties of (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide has a molecular weight of 374.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 1334632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).