(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide

C27H45NO — CID 174358193

IUPAC(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C27H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(29)28-27(2,3)25-22-19-18-20-23-25/h11-12,18-20,22-23H,4-10,13-17,21,24H2,1-3H3,(H,28,29)/b12-11-
InChIKeyOVIQWBYATLZRSS-QXMHVHEDSA-N
MW399.66 g/mol
LogP8.08
Rot. Bonds17

About (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide

(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide (PubChem CID 174358193) has the molecular formula C27H45NO and a molecular weight of 399.66 g/mol. Its IUPAC name is (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
PubChem CID174358193
Molecular FormulaC27H45NO
Molecular Weight399.66 g/mol
Exact Mass399.35
IUPAC Name(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C27H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(29)28-27(2,3)25-22-19-18-20-23-25/h11-12,18-20,22-23H,4-10,13-17,21,24H2,1-3H3,(H,28,29)/b12-11-
InChIKeyOVIQWBYATLZRSS-QXMHVHEDSA-N
XLogP8.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-(2-phenylpropan-2-yl)octadec-9-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

N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473
N-phenyldocos-13-enamide
CID 54224492
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-(1-amino-2-phenylpropan-2-yl)heptanamide
CID 105060397
N-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-(1,2-diphenylpropan-2-yl)hexanamide
CID 139775131
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
N-tritylpentanamide
CID 71163215
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide?
The IUPAC name of (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide (CID 174358193) is (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide?
The InChIKey is OVIQWBYATLZRSS-QXMHVHEDSA-N. The full InChI is InChI=1S/C27H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(29)28-27(2,3)25-22-19-18-20-23-25/h11-12,18-20,22-23H,4-10,13-17,21,24H2,1-3H3,(H,28,29)/b12-11-.
What are the key properties of (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide?
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide has a molecular weight of 399.66 g/mol, XLogP of 8.08, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide is sourced from PubChem (CID 174358193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).