3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide

C14H20N2O2 — CID 23598872

IUPAC3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide
SMILESCCCNC(=O)C(=O)C(Cc1ccccc1)NC
InChIInChI=1S/C14H20N2O2/c1-3-9-16-14(18)13(17)12(15-2)10-11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyAMTGKRBSCMNMRC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.91
Rot. Bonds7

About 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide

3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide (PubChem CID 23598872) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide.

Molecular Properties

Compound Name3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide
PubChem CID23598872
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide
SMILESCCCNC(=O)C(=O)C(Cc1ccccc1)NC
InChIInChI=1S/C14H20N2O2/c1-3-9-16-14(18)13(17)12(15-2)10-11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyAMTGKRBSCMNMRC-UHFFFAOYSA-N
XLogP0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanamine;(3S)-3-(methylamino)-2-oxo-4-phenylbutanoic acid
CID 163483257
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(2S)-2-(methylamino)-N-[2-(methylamino)ethyl]-3-phenylpropanamide
CID 100959272
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoate
CID 2016663
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide
CID 172626022
N'-phenyl-N-propyloxamide
CID 2291438

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide?
The IUPAC name of 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide (CID 23598872) is 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide.
What is the SMILES notation for 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide?
The canonical SMILES for 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide is CCCNC(=O)C(=O)C(Cc1ccccc1)NC.
What is the InChIKey of 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide?
The InChIKey is AMTGKRBSCMNMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9-16-14(18)13(17)12(15-2)10-11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide?
3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide has a molecular weight of 248.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide is sourced from PubChem (CID 23598872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).