(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide

C13H17NO2 — CID 7923565

IUPAC(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C13H17NO2/c1-9-6-10(2)8-11(7-9)14-13(15)12-4-3-5-16-12/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyMKUPZMXIFCDHMK-LBPRGKRZSA-N
MW219.28 g/mol
LogP2.42
Rot. Bonds2

About (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide

(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide (PubChem CID 7923565) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
PubChem CID7923565
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C13H17NO2/c1-9-6-10(2)8-11(7-9)14-13(15)12-4-3-5-16-12/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyMKUPZMXIFCDHMK-LBPRGKRZSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide
CID 107577719
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
CID 9319932
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-phenyloxolane-2-carboxamide
CID 3453643
5-(oxane-2-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62214026
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide (CID 7923565) is (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide is Cc1cc(C)cc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide?
The InChIKey is MKUPZMXIFCDHMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-6-10(2)8-11(7-9)14-13(15)12-4-3-5-16-12/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide?
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 7923565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).