(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide

C30H35NO2 — CID 24843635

IUPAC(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
SMILESCC(C)(C)c1cc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H35NO2/c1-29(2,3)24-19-21(20-25(28(24)33)30(4,5)6)17-18-26(32)31-27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-20,27,33H,1-6H3,(H,31,32)/b18-17+
InChIKeyVTHRPKHBUHIBJT-ISLYRVAYSA-N
MW441.62 g/mol
LogP6.91
Rot. Bonds5

About (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide

(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide (PubChem CID 24843635) has the molecular formula C30H35NO2 and a molecular weight of 441.62 g/mol. Its IUPAC name is (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
PubChem CID24843635
Molecular FormulaC30H35NO2
Molecular Weight441.62 g/mol
Exact Mass441.27
IUPAC Name(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
SMILESCC(C)(C)c1cc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H35NO2/c1-29(2,3)24-19-21(20-25(28(24)33)30(4,5)6)17-18-26(32)31-27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-20,27,33H,1-6H3,(H,31,32)/b18-17+
InChIKeyVTHRPKHBUHIBJT-ISLYRVAYSA-N
XLogP6.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-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-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide
CID 139761934
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 689095
(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide
CID 7930993
(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43904270
N-benzhydrylbut-2-enamide
CID 78906490
2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43915668
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide (CID 24843635) is (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide is CC(C)(C)c1cc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is VTHRPKHBUHIBJT-ISLYRVAYSA-N. The full InChI is InChI=1S/C30H35NO2/c1-29(2,3)24-19-21(20-25(28(24)33)30(4,5)6)17-18-26(32)31-27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-20,27,33H,1-6H3,(H,31,32)/b18-17+.
What are the key properties of (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 441.62 g/mol, XLogP of 6.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 24843635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).