(E)-3-cyclohexyl-N-phenylprop-2-enamide

C15H19NO — CID 127126956

IUPAC(E)-3-cyclohexyl-N-phenylprop-2-enamide
SMILESO=C(/C=C/C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C15H19NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2,(H,16,17)/b12-11+
InChIKeyDQSHVZXXAPMRDQ-VAWYXSNFSA-N
MW229.32 g/mol
LogP3.76
Rot. Bonds3

About (E)-3-cyclohexyl-N-phenylprop-2-enamide

(E)-3-cyclohexyl-N-phenylprop-2-enamide (PubChem CID 127126956) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N-phenylprop-2-enamide
PubChem CID127126956
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(E)-3-cyclohexyl-N-phenylprop-2-enamide
SMILESO=C(/C=C/C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C15H19NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2,(H,16,17)/b12-11+
InChIKeyDQSHVZXXAPMRDQ-VAWYXSNFSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933957
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
(Z)-N-phenylbut-2-enamide
CID 59909226
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215
1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
CID 174426915
CID 162324012
CID 162324012
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
CID 20724342
(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide
CID 15687746
[(E)-(2-anilino-2-oxoethylidene)amino] N-cyclohexylcarbamate
CID 6883889
(E)-3-cyclohexyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934348

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-cyclohexyl-N-phenylprop-2-enamide (CID 127126956) is (E)-3-cyclohexyl-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclohexyl-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-cyclohexyl-N-phenylprop-2-enamide is O=C(/C=C/C1CCCCC1)Nc1ccccc1.
What is the InChIKey of (E)-3-cyclohexyl-N-phenylprop-2-enamide?
The InChIKey is DQSHVZXXAPMRDQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2,(H,16,17)/b12-11+.
What are the key properties of (E)-3-cyclohexyl-N-phenylprop-2-enamide?
(E)-3-cyclohexyl-N-phenylprop-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N-phenylprop-2-enamide is sourced from PubChem (CID 127126956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).