N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide

C20H25N3O2 — CID 95286959

IUPACN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C20H25N3O2/c1-3-13-23(2)17-11-9-16(10-12-17)20(25)22-18(19(21)24)14-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3,(H2,21,24)(H,22,25)/t18-/m1/s1
InChIKeyKWWPSWGDLPXSGY-GOSISDBHSA-N
MW339.44 g/mol
LogP2.36
Rot. Bonds8

About N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide

N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide (PubChem CID 95286959) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide
PubChem CID95286959
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C20H25N3O2/c1-3-13-23(2)17-11-9-16(10-12-17)20(25)22-18(19(21)24)14-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3,(H2,21,24)(H,22,25)/t18-/m1/s1
InChIKeyKWWPSWGDLPXSGY-GOSISDBHSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 48731808
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid
CID 119369470
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 25353531

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide (CID 95286959) is N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide is CCCN(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1.
What is the InChIKey of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide?
The InChIKey is KWWPSWGDLPXSGY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-13-23(2)17-11-9-16(10-12-17)20(25)22-18(19(21)24)14-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3,(H2,21,24)(H,22,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide?
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide is sourced from PubChem (CID 95286959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).