3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide

C25H32N2O — CID 123296163

IUPAC3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide
SMILESC=C(CC)c1cc(C(=O)NC(c2ccccc2)C2CCCCC2)ccc1NC
InChIInChI=1S/C25H32N2O/c1-4-18(2)22-17-21(15-16-23(22)26-3)25(28)27-24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5,7-8,11-12,15-17,20,24,26H,2,4,6,9-10,13-14H2,1,3H3,(H,27,28)
InChIKeyVCLCLHYMIRAHRM-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.20
Rot. Bonds7

About 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide

3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide (PubChem CID 123296163) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide.

Molecular Properties

Compound Name3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide
PubChem CID123296163
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide
SMILESC=C(CC)c1cc(C(=O)NC(c2ccccc2)C2CCCCC2)ccc1NC
InChIInChI=1S/C25H32N2O/c1-4-18(2)22-17-21(15-16-23(22)26-3)25(28)27-24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5,7-8,11-12,15-17,20,24,26H,2,4,6,9-10,13-14H2,1,3H3,(H,27,28)
InChIKeyVCLCLHYMIRAHRM-UHFFFAOYSA-N
XLogP6.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide 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

5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid
CID 141427341
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[(S)-cyclohexyl(phenyl)methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 39025332
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55690038
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
N-[cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460706
N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001737
N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 16580894
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
2-[[(S)-cyclohexyl(phenyl)methyl]carbamoylamino]propanediamide
CID 94187456

Frequently Asked Questions

What is the IUPAC name of 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide?
The IUPAC name of 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide (CID 123296163) is 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide.
What is the SMILES notation for 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide?
The canonical SMILES for 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide is C=C(CC)c1cc(C(=O)NC(c2ccccc2)C2CCCCC2)ccc1NC.
What is the InChIKey of 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide?
The InChIKey is VCLCLHYMIRAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-4-18(2)22-17-21(15-16-23(22)26-3)25(28)27-24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5,7-8,11-12,15-17,20,24,26H,2,4,6,9-10,13-14H2,1,3H3,(H,27,28).
What are the key properties of 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide?
3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide has a molecular weight of 376.54 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide is sourced from PubChem (CID 123296163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).