2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide

C19H21NO3 — CID 9295083

IUPAC2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H21NO3/c1-14-5-2-3-7-18(14)19(21)20-15-8-10-16(11-9-15)23-13-17-6-4-12-22-17/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyMKOXBVIZSMXVHL-KRWDZBQOSA-N
MW311.38 g/mol
LogP3.81
Rot. Bonds5

About 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide

2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide (PubChem CID 9295083) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
PubChem CID9295083
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H21NO3/c1-14-5-2-3-7-18(14)19(21)20-15-8-10-16(11-9-15)23-13-17-6-4-12-22-17/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyMKOXBVIZSMXVHL-KRWDZBQOSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 87020616
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide (CID 9295083) is 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
The InChIKey is MKOXBVIZSMXVHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-5-2-3-7-18(14)19(21)20-15-8-10-16(11-9-15)23-13-17-6-4-12-22-17/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 9295083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).