4-[(3-amino-3-phenylpropanoyl)amino]butanamide

C13H19N3O2 — CID 60865046

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]butanamide
SMILESNC(=O)CCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H19N3O2/c14-11(10-5-2-1-3-6-10)9-13(18)16-8-4-7-12(15)17/h1-3,5-6,11H,4,7-9,14H2,(H2,15,17)(H,16,18)
InChIKeyDONVVHOIOCUZBK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.46
Rot. Bonds7

About 4-[(3-amino-3-phenylpropanoyl)amino]butanamide

4-[(3-amino-3-phenylpropanoyl)amino]butanamide (PubChem CID 60865046) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]butanamide.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]butanamide
PubChem CID60865046
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]butanamide
SMILESNC(=O)CCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H19N3O2/c14-11(10-5-2-1-3-6-10)9-13(18)16-8-4-7-12(15)17/h1-3,5-6,11H,4,7-9,14H2,(H2,15,17)(H,16,18)
InChIKeyDONVVHOIOCUZBK-UHFFFAOYSA-N
XLogP0.46
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653
3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
CID 119950005
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]butanamide?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]butanamide (CID 60865046) is 4-[(3-amino-3-phenylpropanoyl)amino]butanamide.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]butanamide?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]butanamide is NC(=O)CCCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]butanamide?
The InChIKey is DONVVHOIOCUZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11(10-5-2-1-3-6-10)9-13(18)16-8-4-7-12(15)17/h1-3,5-6,11H,4,7-9,14H2,(H2,15,17)(H,16,18).
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]butanamide?
4-[(3-amino-3-phenylpropanoyl)amino]butanamide has a molecular weight of 249.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]butanamide is sourced from PubChem (CID 60865046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).