2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide

C20H31NO3 — CID 99990665

IUPAC2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(=O)N(C)C[C@H]2CCCCO2)c(O)c(C(C)C)c1
InChIInChI=1S/C20H31NO3/c1-13(2)15-10-17(14(3)4)19(22)18(11-15)20(23)21(5)12-16-8-6-7-9-24-16/h10-11,13-14,16,22H,6-9,12H2,1-5H3/t16-/m1/s1
InChIKeyGXPPZYDFKVUJGJ-MRXNPFEDSA-N
MW333.47 g/mol
LogP4.28
Rot. Bonds5

About 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide

2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide (PubChem CID 99990665) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide
PubChem CID99990665
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(=O)N(C)C[C@H]2CCCCO2)c(O)c(C(C)C)c1
InChIInChI=1S/C20H31NO3/c1-13(2)15-10-17(14(3)4)19(22)18(11-15)20(23)21(5)12-16-8-6-7-9-24-16/h10-11,13-14,16,22H,6-9,12H2,1-5H3/t16-/m1/s1
InChIKeyGXPPZYDFKVUJGJ-MRXNPFEDSA-N
XLogP4.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
N,1,2,5-tetramethyl-N-(oxan-2-ylmethyl)pyrrole-3-carboxamide
CID 135113148
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
CID 107024526
N-methyl-2-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 61436480
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide (CID 99990665) is 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide is CC(C)c1cc(C(=O)N(C)C[C@H]2CCCCO2)c(O)c(C(C)C)c1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide?
The InChIKey is GXPPZYDFKVUJGJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31NO3/c1-13(2)15-10-17(14(3)4)19(22)18(11-15)20(23)21(5)12-16-8-6-7-9-24-16/h10-11,13-14,16,22H,6-9,12H2,1-5H3/t16-/m1/s1.
What are the key properties of 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide?
2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide has a molecular weight of 333.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide is sourced from PubChem (CID 99990665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).