N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide

C16H24N2O2 — CID 22901016

IUPACN-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide
SMILESCCCNC(Cc1ccccc1)C(=O)NCCC(C)=O
InChIInChI=1S/C16H24N2O2/c1-3-10-17-15(12-14-7-5-4-6-8-14)16(20)18-11-9-13(2)19/h4-8,15,17H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyBVCMPRNCSXUQLJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds9

About N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide

N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide (PubChem CID 22901016) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide.

Molecular Properties

Compound NameN-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide
PubChem CID22901016
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide
SMILESCCCNC(Cc1ccccc1)C(=O)NCCC(C)=O
InChIInChI=1S/C16H24N2O2/c1-3-10-17-15(12-14-7-5-4-6-8-14)16(20)18-11-9-13(2)19/h4-8,15,17H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyBVCMPRNCSXUQLJ-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-oxo-1-(4-oxopentylamino)-3-phenylpropan-2-yl]amino]acetic acid
CID 22901011
3-methyl-1-phenyl-N-propylbut-3-en-2-amine
CID 79191049
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
bis(2-amino-3-phenylpropanoic acid);4-hydroxy-2-(propylamino)butanoic acid
CID 174963682
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
2-(pentylamino)-3-phenylpropanoic acid;hydrate
CID 175282297
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide?
The IUPAC name of N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide (CID 22901016) is N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide.
What is the SMILES notation for N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide?
The canonical SMILES for N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide is CCCNC(Cc1ccccc1)C(=O)NCCC(C)=O.
What is the InChIKey of N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide?
The InChIKey is BVCMPRNCSXUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-17-15(12-14-7-5-4-6-8-14)16(20)18-11-9-13(2)19/h4-8,15,17H,3,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide?
N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide is sourced from PubChem (CID 22901016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).