4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide

C14H21N3O2 — CID 63323993

IUPAC4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
SMILESNC(=O)CCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H21N3O2/c15-12(11-5-2-1-3-6-11)8-9-14(19)17-10-4-7-13(16)18/h1-3,5-6,12H,4,7-10,15H2,(H2,16,18)(H,17,19)
InChIKeyKPVYNVHYQIDBJJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.85
Rot. Bonds8

About 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide

4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide (PubChem CID 63323993) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
PubChem CID63323993
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
SMILESNC(=O)CCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H21N3O2/c15-12(11-5-2-1-3-6-11)8-9-14(19)17-10-4-7-13(16)18/h1-3,5-6,12H,4,7-10,15H2,(H2,16,18)(H,17,19)
InChIKeyKPVYNVHYQIDBJJ-UHFFFAOYSA-N
XLogP0.85
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.85
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-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64530541
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide (CID 63323993) is 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide is NC(=O)CCCNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide?
The InChIKey is KPVYNVHYQIDBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12(11-5-2-1-3-6-11)8-9-14(19)17-10-4-7-13(16)18/h1-3,5-6,12H,4,7-10,15H2,(H2,16,18)(H,17,19).
What are the key properties of 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide?
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide is sourced from PubChem (CID 63323993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).