N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide

C15H23N3O2 — CID 119996452

IUPACN-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCC(CN)CNC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-12(10-16)11-18-14(19)7-8-17-15(20)9-13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGFXDFXIWHZHAQE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.45
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide

N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 119996452) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID119996452
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCC(CN)CNC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-12(10-16)11-18-14(19)7-8-17-15(20)9-13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGFXDFXIWHZHAQE-UHFFFAOYSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
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CID 115271670
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 30826333
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide (CID 119996452) is N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide is CC(CN)CNC(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is GFXDFXIWHZHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(10-16)11-18-14(19)7-8-17-15(20)9-13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide?
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 119996452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).