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

C14H21N3O2 — CID 106344661

IUPAC2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(CN)c1ccccc1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-9(2)12(13(16)18)17-14(19)11(8-15)10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyCLTLZYWVUHQDPW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.35
Rot. Bonds6

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

2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide (PubChem CID 106344661) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
PubChem CID106344661
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(CN)c1ccccc1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-9(2)12(13(16)18)17-14(19)11(8-15)10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyCLTLZYWVUHQDPW-UHFFFAOYSA-N
XLogP0.35
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
CID 65314592
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-phenylpropanamide
CID 65047695
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
CID 113492233
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
CID 62878348
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]-3-methylbutanamide?
The IUPAC name of 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide (CID 106344661) is 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide is CC(C)C(NC(=O)C(CN)c1ccccc1)C(N)=O.
What is the InChIKey of 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide?
The InChIKey is CLTLZYWVUHQDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)12(13(16)18)17-14(19)11(8-15)10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide?
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 0.35, 6 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]-3-methylbutanamide is sourced from PubChem (CID 106344661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).