2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

C17H23ClN2O3 — CID 113160309

IUPAC2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)CC1CCCO1
InChIInChI=1S/C17H23ClN2O3/c1-11-7-12(2)17(15(18)8-11)19-16(22)10-20(13(3)21)9-14-5-4-6-23-14/h7-8,14H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyOIWNTJKHQVCUBZ-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.92
Rot. Bonds5

About 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 113160309) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID113160309
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)CC1CCCO1
InChIInChI=1S/C17H23ClN2O3/c1-11-7-12(2)17(15(18)8-11)19-16(22)10-20(13(3)21)9-14-5-4-6-23-14/h7-8,14H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyOIWNTJKHQVCUBZ-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(cycloheptyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113166376
N-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016092
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160319
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113160372
N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42908077
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431452
1-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 43384857
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113164583
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 91834471

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 113160309) is 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)CC1CCCO1.
What is the InChIKey of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is OIWNTJKHQVCUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11-7-12(2)17(15(18)8-11)19-16(22)10-20(13(3)21)9-14-5-4-6-23-14/h7-8,14H,4-6,9-10H2,1-3H3,(H,19,22).
What are the key properties of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113160309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).