(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide

C15H21NO2 — CID 930580

IUPAC(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)16-14(17)12-8-9-18-15(2,3)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyDADAITQZLJCNAG-LBPRGKRZSA-N
MW247.34 g/mol
LogP3.14
Rot. Bonds2

About (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide

(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide (PubChem CID 930580) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide
PubChem CID930580
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)16-14(17)12-8-9-18-15(2,3)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyDADAITQZLJCNAG-LBPRGKRZSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
(4R,5R)-7,7-dimethyl-N-(2-methylphenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 752068
1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone
CID 915167
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24534677
2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
CID 2942110
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide?
The IUPAC name of (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide (CID 930580) is (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide is Cc1ccccc1NC(=O)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide?
The InChIKey is DADAITQZLJCNAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)16-14(17)12-8-9-18-15(2,3)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide?
(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 930580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).