N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride

C20H25ClN2O2 — CID 119997393

IUPACN-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15(13-21)14-22-20(24)12-11-19(23)18-9-7-17(8-10-18)16-5-3-2-4-6-16;/h2-10,15H,11-14,21H2,1H3,(H,22,24);1H
InChIKeyFBWSCVHXSLWDMI-UHFFFAOYSA-N
MW360.88 g/mol
LogP3.45
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride (PubChem CID 119997393) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
PubChem CID119997393
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC NameN-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15(13-21)14-22-20(24)12-11-19(23)18-9-7-17(8-10-18)16-5-3-2-4-6-16;/h2-10,15H,11-14,21H2,1H3,(H,22,24);1H
InChIKeyFBWSCVHXSLWDMI-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
CID 111447676
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 9470610
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
3-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 120687518
N-[3-[(3-amino-2-methylpropyl)amino]-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119998350
N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119528417

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride (CID 119997393) is N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride is CC(CN)CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride?
The InChIKey is FBWSCVHXSLWDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-15(13-21)14-22-20(24)12-11-19(23)18-9-7-17(8-10-18)16-5-3-2-4-6-16;/h2-10,15H,11-14,21H2,1H3,(H,22,24);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119997393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).