(3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide

C15H21NO2 — CID 95599208

IUPAC(3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide
SMILESCc1ccccc1N(C(=O)[C@H]1CCOC1)C(C)C
InChIInChI=1S/C15H21NO2/c1-11(2)16(14-7-5-4-6-12(14)3)15(17)13-8-9-18-10-13/h4-7,11,13H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyPLLXJLHVKYDLKO-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.77
Rot. Bonds3

About (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide

(3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide (PubChem CID 95599208) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide
PubChem CID95599208
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide
SMILESCc1ccccc1N(C(=O)[C@H]1CCOC1)C(C)C
InChIInChI=1S/C15H21NO2/c1-11(2)16(14-7-5-4-6-12(14)3)15(17)13-8-9-18-10-13/h4-7,11,13H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyPLLXJLHVKYDLKO-ZDUSSCGKSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide (CID 95599208) is (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide is Cc1ccccc1N(C(=O)[C@H]1CCOC1)C(C)C.
What is the InChIKey of (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is PLLXJLHVKYDLKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)16(14-7-5-4-6-12(14)3)15(17)13-8-9-18-10-13/h4-7,11,13H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide?
(3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylphenyl)-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 95599208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).