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

C13H17NO4 — CID 9096652

IUPAC(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCO2)cc(OC)c1
InChIInChI=1S/C13H17NO4/c1-16-10-6-9(7-11(8-10)17-2)14-13(15)12-4-3-5-18-12/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyGLRFTAPWJCPHIE-LBPRGKRZSA-N
MW251.28 g/mol
LogP1.82
Rot. Bonds4

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

(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide (PubChem CID 9096652) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
PubChem CID9096652
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCO2)cc(OC)c1
InChIInChI=1S/C13H17NO4/c1-16-10-6-9(7-11(8-10)17-2)14-13(15)12-4-3-5-18-12/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyGLRFTAPWJCPHIE-LBPRGKRZSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
CID 9319932
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 51936894
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide (CID 9096652) is (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide is COc1cc(NC(=O)[C@@H]2CCCO2)cc(OC)c1.
What is the InChIKey of (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide?
The InChIKey is GLRFTAPWJCPHIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-10-6-9(7-11(8-10)17-2)14-13(15)12-4-3-5-18-12/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide?
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 9096652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).