N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide

C16H23NO2 — CID 64992078

IUPACN-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-11(2)12-6-8-13(9-7-12)15(19)17-10-14(18)16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,19)
InChIKeyMPAIUWCQYRFWPF-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.15
Rot. Bonds4

About N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide

N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide (PubChem CID 64992078) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
PubChem CID64992078
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-11(2)12-6-8-13(9-7-12)15(19)17-10-14(18)16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,19)
InChIKeyMPAIUWCQYRFWPF-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
CID 856904
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
CID 164863189
tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
CID 108570352
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
CID 115429720
4-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methylbenzamide
CID 112706643

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide (CID 64992078) is N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide?
The InChIKey is MPAIUWCQYRFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)12-6-8-13(9-7-12)15(19)17-10-14(18)16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,19).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide?
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide has a molecular weight of 261.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 64992078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).