4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide

C19H22N2O2 — CID 77352806

IUPAC4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
SMILESCOc1ccc(NC(=O)C=CC(N)CCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-12-10-17(11-13-18)21-19(22)14-9-16(20)8-7-15-5-3-2-4-6-15/h2-6,9-14,16H,7-8,20H2,1H3,(H,21,22)
InChIKeyUMRVZUIXZYPOGT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.15
Rot. Bonds7

About 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide

4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide (PubChem CID 77352806) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
PubChem CID77352806
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
SMILESCOc1ccc(NC(=O)C=CC(N)CCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-12-10-17(11-13-18)21-19(22)14-9-16(20)8-7-15-5-3-2-4-6-15/h2-6,9-14,16H,7-8,20H2,1H3,(H,21,22)
InChIKeyUMRVZUIXZYPOGT-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-methoxyphenyl)-6-phenylhex-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,4S)-4-[[(2S)-2-aminopropanoyl]amino]-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
CID 50939161
(E,4S)-4-[[(2S)-2-amino-2-cyclopentylacetyl]amino]-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
CID 50939033
(4S)-4-[[(2S)-2-amino-2-cyclopentylacetyl]amino]-N-(4-methoxyphenyl)-6-phenylhex-2-enamide;2,2,2-trifluoroacetic acid
CID 67772398
tert-butyl (E,3R)-6-(4-methoxyanilino)-6-oxo-3-(2-phenylethyl)hex-4-enoate;4-methoxyaniline;(E,4R)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-(2-phenylethyl)hex-2-enoic acid
CID 159653698
N-tert-butyl-N-[(2S)-1-[[(E,3S)-6-(4-methoxyanilino)-6-oxo-1-phenylhex-4-en-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 131740410
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735
tert-butyl-[(2S)-1-[[(E,3S)-6-(4-methoxyanilino)-6-oxo-1-phenylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]carbamic acid
CID 67773053
tert-butyl N-[(E,3S,6R)-9-(4-methoxyanilino)-2-methyl-4,9-dioxo-6-(2-phenylethyl)non-7-en-3-yl]carbamate
CID 161205632
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523
N-tert-butyl-N-[(2S)-1-[[(E,3S)-6-(4-methoxyanilino)-6-oxo-1-phenylhex-4-en-3-yl]amino]-1-oxobutan-2-yl]carbamate
CID 86666411
methyl 4-[[(E,4S)-4-[[(2S)-2-aminopropanoyl]amino]-6-phenylhex-2-enoyl]amino]benzoate
CID 50938569
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
The IUPAC name of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide (CID 77352806) is 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide.
What is the SMILES notation for 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
The canonical SMILES for 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide is COc1ccc(NC(=O)C=CC(N)CCc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
The InChIKey is UMRVZUIXZYPOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-12-10-17(11-13-18)21-19(22)14-9-16(20)8-7-15-5-3-2-4-6-15/h2-6,9-14,16H,7-8,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide is sourced from PubChem (CID 77352806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).