2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C15H21N3O3 — CID 9301966

IUPAC2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)17-15(21)9-16-14(20)8-12-4-6-13(7-5-12)18-11(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyLHUUJVYHDHQYMW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.83
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 9301966) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID9301966
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)17-15(21)9-16-14(20)8-12-4-6-13(7-5-12)18-11(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyLHUUJVYHDHQYMW-UHFFFAOYSA-N
XLogP0.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
CID 108792637
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8671590
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
2-(4-acetamidophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 71848986
2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
CID 96542842

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 9301966) is 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CC(=O)Nc1ccc(CC(=O)NCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is LHUUJVYHDHQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)17-15(21)9-16-14(20)8-12-4-6-13(7-5-12)18-11(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 9301966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).