(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide

C15H21NO2 — CID 127126119

IUPAC(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-9-14(17)16-11-12-5-7-13(18-4)8-6-12/h5-10H,11H2,1-4H3,(H,16,17)/b10-9+
InChIKeyNQERBSPLXWEXRM-MDZDMXLPSA-N
MW247.34 g/mol
LogP2.91
Rot. Bonds4

About (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide

(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide (PubChem CID 127126119) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide
PubChem CID127126119
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-9-14(17)16-11-12-5-7-13(18-4)8-6-12/h5-10H,11H2,1-4H3,(H,16,17)/b10-9+
InChIKeyNQERBSPLXWEXRM-MDZDMXLPSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-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

1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108911310
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
diethyl-[[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 8947680
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
(E)-3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 45051346
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide (CID 127126119) is (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide is COc1ccc(CNC(=O)/C=C/C(C)(C)C)cc1.
What is the InChIKey of (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide?
The InChIKey is NQERBSPLXWEXRM-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)10-9-14(17)16-11-12-5-7-13(18-4)8-6-12/h5-10H,11H2,1-4H3,(H,16,17)/b10-9+.
What are the key properties of (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide?
(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 127126119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).