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

C20H31N3O3 — CID 51156967

IUPACN-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C20H31N3O3/c1-6-23(13-18(25)21-15(4)5)20(26)19(14(2)3)22-17(24)12-16-10-8-7-9-11-16/h7-11,14-15,19H,6,12-13H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyPLLRHJMBXKEHGD-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.74
Rot. Bonds9

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

N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 51156967) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
PubChem CID51156967
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C20H31N3O3/c1-6-23(13-18(25)21-15(4)5)20(26)19(14(2)3)22-17(24)12-16-10-8-7-9-11-16/h7-11,14-15,19H,6,12-13H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyPLLRHJMBXKEHGD-UHFFFAOYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4884407
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
CID 78789416
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848337
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
CID 78770706

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide (CID 51156967) is N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide is CCN(CC(=O)NC(C)C)C(=O)C(NC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is PLLRHJMBXKEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-6-23(13-18(25)21-15(4)5)20(26)19(14(2)3)22-17(24)12-16-10-8-7-9-11-16/h7-11,14-15,19H,6,12-13H2,1-5H3,(H,21,25)(H,22,24).
What are the key properties of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide?
N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 361.49 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 51156967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).