2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide

C14H21N3O2 — CID 174410015

IUPAC2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
SMILESCCC(NC(=O)C(Cc1ccccc1)NC)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-11(13(15)18)17-14(19)12(16-2)9-10-7-5-4-6-8-10/h4-8,11-12,16H,3,9H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyKGAIEQZVMRANEN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.20
Rot. Bonds7

About 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide

2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide (PubChem CID 174410015) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide.

Molecular Properties

Compound Name2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
PubChem CID174410015
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
SMILESCCC(NC(=O)C(Cc1ccccc1)NC)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-11(13(15)18)17-14(19)12(16-2)9-10-7-5-4-6-8-10/h4-8,11-12,16H,3,9H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyKGAIEQZVMRANEN-UHFFFAOYSA-N
XLogP0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide
CID 118910669
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoic acid
CID 10359590
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(2S)-4-methyl-2-(methylamino)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 122429933

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide?
The IUPAC name of 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide (CID 174410015) is 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide.
What is the SMILES notation for 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide?
The canonical SMILES for 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide is CCC(NC(=O)C(Cc1ccccc1)NC)C(N)=O.
What is the InChIKey of 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide?
The InChIKey is KGAIEQZVMRANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11(13(15)18)17-14(19)12(16-2)9-10-7-5-4-6-8-10/h4-8,11-12,16H,3,9H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide?
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide is sourced from PubChem (CID 174410015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).