4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide

C16H23N3O2 — CID 79377333

IUPAC4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c17-14(12-4-2-1-3-5-12)8-9-15(20)18-11-10-16(21)19-13-6-7-13/h1-5,13-14H,6-11,17H2,(H,18,20)(H,19,21)
InChIKeyZVIOKGHXKAZXBF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.25
Rot. Bonds8

About 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide

4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide (PubChem CID 79377333) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
PubChem CID79377333
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c17-14(12-4-2-1-3-5-12)8-9-15(20)18-11-10-16(21)19-13-6-7-13/h1-5,13-14H,6-11,17H2,(H,18,20)(H,19,21)
InChIKeyZVIOKGHXKAZXBF-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide (CID 79377333) is 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide is NC(CCC(=O)NCCC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide?
The InChIKey is ZVIOKGHXKAZXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(12-4-2-1-3-5-12)8-9-15(20)18-11-10-16(21)19-13-6-7-13/h1-5,13-14H,6-11,17H2,(H,18,20)(H,19,21).
What are the key properties of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide?
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide has a molecular weight of 289.38 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide is sourced from PubChem (CID 79377333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).