N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide

C16H23NO3 — CID 176753674

IUPACN-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(CC(=O)C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-11(2)15(18)9-13-5-7-14(8-6-13)17-16(19)10-20-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyNZMKCGOAOBCNIQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.82
Rot. Bonds7

About N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide

N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 176753674) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID176753674
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(CC(=O)C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-11(2)15(18)9-13-5-7-14(8-6-13)17-16(19)10-20-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyNZMKCGOAOBCNIQ-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
N-(1-methyl-6-oxo-3-pyridinyl)-2-propan-2-yloxyacetamide
CID 112686884
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide (CID 176753674) is N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1ccc(CC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is NZMKCGOAOBCNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)15(18)9-13-5-7-14(8-6-13)17-16(19)10-20-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide?
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 176753674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).