(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide

C17H23NO — CID 43010855

IUPAC(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C17H23NO/c1-13-6-5-8-15(12-13)10-11-17(19)18-16-9-4-3-7-14(16)2/h5-6,8,10-12,14,16H,3-4,7,9H2,1-2H3,(H,18,19)/b11-10+
InChIKeySSCOBIJQPAFDBT-ZHACJKMWSA-N
MW257.38 g/mol
LogP3.70
Rot. Bonds3

About (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide

(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide (PubChem CID 43010855) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
PubChem CID43010855
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C17H23NO/c1-13-6-5-8-15(12-13)10-11-17(19)18-16-9-4-3-7-14(16)2/h5-6,8,10-12,14,16H,3-4,7,9H2,1-2H3,(H,18,19)/b11-10+
InChIKeySSCOBIJQPAFDBT-ZHACJKMWSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.70
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-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 115342655
(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082
(E)-N-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6219909
(E)-N-[(1S,2R)-2-methylcyclohexyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7478919
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 6981079
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
methyl 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]benzoate
CID 8902193
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453
1-[(1R,2R)-2-methylcyclohexyl]-3-[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 9122277
1-[(1R,2S)-2-methylcyclohexyl]-3-[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 9122279
(E)-N-[2-[2-[3-(aminomethyl)anilino]-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)prop-2-enamide
CID 142114290

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide (CID 43010855) is (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)NC2CCCCC2C)c1.
What is the InChIKey of (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is SSCOBIJQPAFDBT-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-6-5-8-15(12-13)10-11-17(19)18-16-9-4-3-7-14(16)2/h5-6,8,10-12,14,16H,3-4,7,9H2,1-2H3,(H,18,19)/b11-10+.
What are the key properties of (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide?
(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 257.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 43010855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).