N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride

C20H26ClN3O2 — CID 120590106

IUPACN-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1cccc(NC(=O)C(C)(N)c2ccccc2)c1C.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-4-9-18(24)22-16-12-8-13-17(14(16)2)23-19(25)20(3,21)15-10-6-5-7-11-15;/h5-8,10-13H,4,9,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyMTDYXJRHSKJXEG-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.97
Rot. Bonds6

About N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride

N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride (PubChem CID 120590106) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride
PubChem CID120590106
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1cccc(NC(=O)C(C)(N)c2ccccc2)c1C.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-4-9-18(24)22-16-12-8-13-17(14(16)2)23-19(25)20(3,21)15-10-6-5-7-11-15;/h5-8,10-13H,4,9,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyMTDYXJRHSKJXEG-UHFFFAOYSA-N
XLogP3.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,3-difluorophenyl)-2-phenylpropanamide
CID 62488948
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
CID 119950525
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide
CID 47750330
2-amino-2-phenylhexan-3-one
CID 116563859
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
(1R,6S)-6-[[3-(butanoylamino)-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 95044155
N-(2-bromophenyl)butanamide
CID 732405
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
9-amino-N-[3-(butanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987456

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride (CID 120590106) is N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride is CCCC(=O)Nc1cccc(NC(=O)C(C)(N)c2ccccc2)c1C.Cl.
What is the InChIKey of N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride?
The InChIKey is MTDYXJRHSKJXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-4-9-18(24)22-16-12-8-13-17(14(16)2)23-19(25)20(3,21)15-10-6-5-7-11-15;/h5-8,10-13H,4,9,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride?
N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride is sourced from PubChem (CID 120590106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).