4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide

C15H23N3O2 — CID 63323848

IUPAC4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
SMILESCCCNC(=O)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-10-17-15(20)11-18-14(19)9-8-13(16)12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyUZSUKOHZAGJSFW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds8

About 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide

4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide (PubChem CID 63323848) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
PubChem CID63323848
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
SMILESCCCNC(=O)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-10-17-15(20)11-18-14(19)9-8-13(16)12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyUZSUKOHZAGJSFW-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116
benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8596519
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2R)-2-phenylbutanoate
CID 9229981

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide (CID 63323848) is 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide is CCCNC(=O)CNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide?
The InChIKey is UZSUKOHZAGJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-10-17-15(20)11-18-14(19)9-8-13(16)12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide?
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 63323848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).