(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

C22H27NO2 — CID 84552099

IUPAC(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCCC(C)c1ccccc1NC(=O)/C=C/c1c(C)cc(OC)cc1C
InChIInChI=1S/C22H27NO2/c1-6-15(2)20-9-7-8-10-21(20)23-22(24)12-11-19-16(3)13-18(25-5)14-17(19)4/h7-15H,6H2,1-5H3,(H,23,24)/b12-11+
InChIKeyJFFZMXOSFQOAMW-VAWYXSNFSA-N
MW337.46 g/mol
LogP5.48
Rot. Bonds6

About (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (PubChem CID 84552099) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
PubChem CID84552099
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCCC(C)c1ccccc1NC(=O)/C=C/c1c(C)cc(OC)cc1C
InChIInChI=1S/C22H27NO2/c1-6-15(2)20-9-7-8-10-21(20)23-22(24)12-11-19-16(3)13-18(25-5)14-17(19)4/h7-15H,6H2,1-5H3,(H,23,24)/b12-11+
InChIKeyJFFZMXOSFQOAMW-VAWYXSNFSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)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-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
(E)-N-(4-anilinophenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552036
(E)-N-(4-bromo-2-methylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552238
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552041
(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84558290
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
CID 84557751
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861492
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2669248

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (CID 84552099) is (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is CCC(C)c1ccccc1NC(=O)/C=C/c1c(C)cc(OC)cc1C.
What is the InChIKey of (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is JFFZMXOSFQOAMW-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H27NO2/c1-6-15(2)20-9-7-8-10-21(20)23-22(24)12-11-19-16(3)13-18(25-5)14-17(19)4/h7-15H,6H2,1-5H3,(H,23,24)/b12-11+.
What are the key properties of (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 337.46 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 84552099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).