4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride

C23H30ClN3O2 — CID 119950414

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1)C1CCCCC1.Cl
InChIInChI=1S/C23H29N3O2.ClH/c1-26(20-10-6-3-7-11-20)23(28)18-12-14-19(15-13-18)25-22(27)16-21(24)17-8-4-2-5-9-17;/h2,4-5,8-9,12-15,20-21H,3,6-7,10-11,16,24H2,1H3,(H,25,27);1H
InChIKeyXVYHFONHBUFQLQ-UHFFFAOYSA-N
MW415.97 g/mol
LogP4.54
Rot. Bonds6

About 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride

4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride (PubChem CID 119950414) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
PubChem CID119950414
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1)C1CCCCC1.Cl
InChIInChI=1S/C23H29N3O2.ClH/c1-26(20-10-6-3-7-11-20)23(28)18-12-14-19(15-13-18)25-22(27)16-21(24)17-8-4-2-5-9-17;/h2,4-5,8-9,12-15,20-21H,3,6-7,10-11,16,24H2,1H3,(H,25,27);1H
InChIKeyXVYHFONHBUFQLQ-UHFFFAOYSA-N
XLogP4.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride 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

4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
CID 119949582
N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
CID 56580229
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
CID 119743435
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890933
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride (CID 119950414) is 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride is CN(C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1)C1CCCCC1.Cl.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The InChIKey is XVYHFONHBUFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c1-26(20-10-6-3-7-11-20)23(28)18-12-14-19(15-13-18)25-22(27)16-21(24)17-8-4-2-5-9-17;/h2,4-5,8-9,12-15,20-21H,3,6-7,10-11,16,24H2,1H3,(H,25,27);1H.
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride?
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119950414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).