(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide

C17H22N2O4 — CID 7926588

IUPAC(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C17H22N2O4/c1-11-6-7-12(18-16(20)14-4-2-8-22-14)13(10-11)19-17(21)15-5-3-9-23-15/h6-7,10,14-15H,2-5,8-9H2,1H3,(H,18,20)(H,19,21)/t14-,15+/m0/s1
InChIKeyGJBITGORCFKEJL-LSDHHAIUSA-N
MW318.37 g/mol
LogP2.23
Rot. Bonds4

About (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide

(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 7926588) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID7926588
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C17H22N2O4/c1-11-6-7-12(18-16(20)14-4-2-8-22-14)13(10-11)19-17(21)15-5-3-9-23-15/h6-7,10,14-15H,2-5,8-9H2,1H3,(H,18,20)(H,19,21)/t14-,15+/m0/s1
InChIKeyGJBITGORCFKEJL-LSDHHAIUSA-N
XLogP2.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
CID 17362633
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589
N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 17171637
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113050128
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-2-carboxamide
CID 62214635

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide (CID 7926588) is (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is GJBITGORCFKEJL-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-6-7-12(18-16(20)14-4-2-8-22-14)13(10-11)19-17(21)15-5-3-9-23-15/h6-7,10,14-15H,2-5,8-9H2,1H3,(H,18,20)(H,19,21)/t14-,15+/m0/s1.
What are the key properties of (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 7926588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).