3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide

C18H27N3O3 — CID 84941976

IUPAC3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCCCNC(=O)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C18H27N3O3/c1-4-10-19-16(23)12-20-18(24)17(13(2)3)21-15(22)11-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyATUFPERSJLSPSO-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.01
Rot. Bonds9

About 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 84941976) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
PubChem CID84941976
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCCCNC(=O)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C18H27N3O3/c1-4-10-19-16(23)12-20-18(24)17(13(2)3)21-15(22)11-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyATUFPERSJLSPSO-UHFFFAOYSA-N
XLogP1.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17475044
(2S)-3-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]butanoic acid
CID 40551618
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394573
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide (CID 84941976) is 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide is CCCNC(=O)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is ATUFPERSJLSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-10-19-16(23)12-20-18(24)17(13(2)3)21-15(22)11-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 333.43 g/mol, XLogP of 1.01, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 84941976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).