3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide

C18H29N3O2 — CID 119741246

IUPAC3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)CN(CCC)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-4-11-20-16(22)13-21(12-5-2)18(23)14(3)17(19)15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13,19H2,1-3H3,(H,20,22)
InChIKeyAEDOXBGDJRJYGB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.09
Rot. Bonds9

About 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide

3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide (PubChem CID 119741246) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
PubChem CID119741246
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)CN(CCC)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-4-11-20-16(22)13-21(12-5-2)18(23)14(3)17(19)15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13,19H2,1-3H3,(H,20,22)
InChIKeyAEDOXBGDJRJYGB-UHFFFAOYSA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 119682383
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide
CID 93373549
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
CID 119680720
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119181957
3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
3,3-diphenyl-N-propylpropanamide
CID 4638647

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide (CID 119741246) is 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide is CCCNC(=O)CN(CCC)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide?
The InChIKey is AEDOXBGDJRJYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-11-20-16(22)13-21(12-5-2)18(23)14(3)17(19)15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide?
3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 119741246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).