N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

C15H22N2O2 — CID 2078790

IUPACN-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESCc1cccc(NC(=O)CNC[C@H]2CCCO2)c1C
InChIInChI=1S/C15H22N2O2/c1-11-5-3-7-14(12(11)2)17-15(18)10-16-9-13-6-4-8-19-13/h3,5,7,13,16H,4,6,8-10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyHKTGTJCUBHFQRO-CYBMUJFWSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (PubChem CID 2078790) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
PubChem CID2078790
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESCc1cccc(NC(=O)CNC[C@H]2CCCO2)c1C
InChIInChI=1S/C15H22N2O2/c1-11-5-3-7-14(12(11)2)17-15(18)10-16-9-13-6-4-8-19-13/h3,5,7,13,16H,4,6,8-10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyHKTGTJCUBHFQRO-CYBMUJFWSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide
CID 119833608
N-(3-cyclopentyloxy-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 91645589
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119687133

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (CID 2078790) is N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is Cc1cccc(NC(=O)CNC[C@H]2CCCO2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is HKTGTJCUBHFQRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-3-7-14(12(11)2)17-15(18)10-16-9-13-6-4-8-19-13/h3,5,7,13,16H,4,6,8-10H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 2078790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).