N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C20H23NO3 — CID 42580258

IUPACN-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1C
InChIInChI=1S/C20H23NO3/c1-14-5-8-17(12-15(14)2)21-20(22)16-6-9-18(10-7-16)24-13-19-4-3-11-23-19/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyGNDVBLOWLZUKHG-IBGZPJMESA-N
MW325.41 g/mol
LogP4.11
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 42580258) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID42580258
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1C
InChIInChI=1S/C20H23NO3/c1-14-5-8-17(12-15(14)2)21-20(22)16-6-9-18(10-7-16)24-13-19-4-3-11-23-19/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyGNDVBLOWLZUKHG-IBGZPJMESA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222218
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
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
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55705614
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 42580258) is N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is GNDVBLOWLZUKHG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-5-8-17(12-15(14)2)21-20(22)16-6-9-18(10-7-16)24-13-19-4-3-11-23-19/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 42580258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).