(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide

C21H31NO — CID 15687746

IUPAC(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide
SMILESCCCCCC/C(=C\C1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H31NO/c1-2-3-4-9-14-19(17-18-12-7-5-8-13-18)21(23)22-20-15-10-6-11-16-20/h6,10-11,15-18H,2-5,7-9,12-14H2,1H3,(H,22,23)/b19-17+
InChIKeyFHCLJVNQYUSSHA-HTXNQAPBSA-N
MW313.48 g/mol
LogP6.10
Rot. Bonds8

About (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide

(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide (PubChem CID 15687746) has the molecular formula C21H31NO and a molecular weight of 313.48 g/mol. Its IUPAC name is (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide.

Molecular Properties

Compound Name(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide
PubChem CID15687746
Molecular FormulaC21H31NO
Molecular Weight313.48 g/mol
Exact Mass313.24
IUPAC Name(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide
SMILESCCCCCC/C(=C\C1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H31NO/c1-2-3-4-9-14-19(17-18-12-7-5-8-13-18)21(23)22-20-15-10-6-11-16-20/h6,10-11,15-18H,2-5,7-9,12-14H2,1H3,(H,22,23)/b19-17+
InChIKeyFHCLJVNQYUSSHA-HTXNQAPBSA-N
XLogP6.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.48
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide
CID 15687754
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
5-oxo-N-phenylheptadecanamide
CID 3308902
formamide;N-phenylheptanamide
CID 143464966
1-(octanoylamino)-3-phenylurea
CID 5130887
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
3-(cyclobutylmethylidene)octan-2-one
CID 68528900
(E)-3-cyclohexyl-N-phenylprop-2-enamide
CID 127126956
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-(cyclohexylamino)phenyl]pentanamide
CID 112980712

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide?
The IUPAC name of (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide (CID 15687746) is (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide.
What is the SMILES notation for (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide?
The canonical SMILES for (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide is CCCCCC/C(=C\C1CCCCC1)C(=O)Nc1ccccc1.
What is the InChIKey of (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide?
The InChIKey is FHCLJVNQYUSSHA-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H31NO/c1-2-3-4-9-14-19(17-18-12-7-5-8-13-18)21(23)22-20-15-10-6-11-16-20/h6,10-11,15-18H,2-5,7-9,12-14H2,1H3,(H,22,23)/b19-17+.
What are the key properties of (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide?
(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide has a molecular weight of 313.48 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide is sourced from PubChem (CID 15687746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).