2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide

C13H19N3O2 — CID 62877842

IUPAC2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
SMILESCC(C)(NC(=O)C(CN)c1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-13(2,12(15)18)16-11(17)10(8-14)9-6-4-3-5-7-9/h3-7,10H,8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyVLWWRFGWDXGRQH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.11
Rot. Bonds5

About 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide

2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide (PubChem CID 62877842) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
PubChem CID62877842
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
SMILESCC(C)(NC(=O)C(CN)c1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-13(2,12(15)18)16-11(17)10(8-14)9-6-4-3-5-7-9/h3-7,10H,8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyVLWWRFGWDXGRQH-UHFFFAOYSA-N
XLogP0.11
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyclopropylpropan-2-yl)-2-phenylpropanamide
CID 114110658
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide
CID 107852996
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 62878367
3-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-phenylpropanoic acid
CID 62878325
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
CID 65314592
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide (CID 62877842) is 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide is CC(C)(NC(=O)C(CN)c1ccccc1)C(N)=O.
What is the InChIKey of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide?
The InChIKey is VLWWRFGWDXGRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,12(15)18)16-11(17)10(8-14)9-6-4-3-5-7-9/h3-7,10H,8,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide?
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide is sourced from PubChem (CID 62877842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).