(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide

C27H29NO — CID 43904270

IUPAC(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
SMILESCc1ccccc1C(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C27H29NO/c1-20-10-8-9-13-24(20)26(22-11-6-5-7-12-22)28-25(29)19-16-21-14-17-23(18-15-21)27(2,3)4/h5-19,26H,1-4H3,(H,28,29)/b19-16+
InChIKeySRVMWNULSGBURZ-KNTRCKAVSA-N
MW383.54 g/mol
LogP6.21
Rot. Bonds5

About (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide (PubChem CID 43904270) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
PubChem CID43904270
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
SMILESCc1ccccc1C(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C27H29NO/c1-20-10-8-9-13-24(20)26(22-11-6-5-7-12-22)28-25(29)19-16-21-14-17-23(18-15-21)27(2,3)4/h5-19,26H,1-4H3,(H,28,29)/b19-16+
InChIKeySRVMWNULSGBURZ-KNTRCKAVSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]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

(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
N-methyl-4-[(E)-3-[1-(2-methylphenyl)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 134062005
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843392
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43915668
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 133244942
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
(2R)-2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 92925443
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide (CID 43904270) is (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide is Cc1ccccc1C(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide?
The InChIKey is SRVMWNULSGBURZ-KNTRCKAVSA-N. The full InChI is InChI=1S/C27H29NO/c1-20-10-8-9-13-24(20)26(22-11-6-5-7-12-22)28-25(29)19-16-21-14-17-23(18-15-21)27(2,3)4/h5-19,26H,1-4H3,(H,28,29)/b19-16+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide has a molecular weight of 383.54 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide is sourced from PubChem (CID 43904270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).