N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide

C17H25N3O3 — CID 46580612

IUPACN-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H25N3O3/c1-11(13-7-6-8-14(9-13)20-12(2)21)19-15(22)10-18-16(23)17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyOCMABHVSBXTTET-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.98
Rot. Bonds5

About N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 46580612) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID46580612
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H25N3O3/c1-11(13-7-6-8-14(9-13)20-12(2)21)19-15(22)10-18-16(23)17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyOCMABHVSBXTTET-UHFFFAOYSA-N
XLogP1.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55599538
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide
CID 46468132
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 95292299

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 46580612) is N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(=O)Nc1cccc(C(C)NC(=O)CNC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is OCMABHVSBXTTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(13-7-6-8-14(9-13)20-12(2)21)19-15(22)10-18-16(23)17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46580612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).