3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide

C15H22N2O3 — CID 111663043

IUPAC3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)CC(C)(C)O)ccc1C
InChIInChI=1S/C15H22N2O3/c1-10-6-7-12(8-13(10)16-11(2)18)14(19)17(5)9-15(3,4)20/h6-8,20H,9H2,1-5H3,(H,16,18)
InChIKeyJJNOVZRCVWKOSW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.80
Rot. Bonds4

About 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide

3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide (PubChem CID 111663043) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide
PubChem CID111663043
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)CC(C)(C)O)ccc1C
InChIInChI=1S/C15H22N2O3/c1-10-6-7-12(8-13(10)16-11(2)18)14(19)17(5)9-15(3,4)20/h6-8,20H,9H2,1-5H3,(H,16,18)
InChIKeyJJNOVZRCVWKOSW-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
3-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 79379535
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
2-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429166
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432
3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 87031354
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide (CID 111663043) is 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide is CC(=O)Nc1cc(C(=O)N(C)CC(C)(C)O)ccc1C.
What is the InChIKey of 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide?
The InChIKey is JJNOVZRCVWKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-6-7-12(8-13(10)16-11(2)18)14(19)17(5)9-15(3,4)20/h6-8,20H,9H2,1-5H3,(H,16,18).
What are the key properties of 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide?
3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 111663043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).