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

C20H22N2O4 — CID 42427479

IUPAC2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-18-7-3-2-6-17(18)20(24)22-15-10-8-14(9-11-15)19(23)21-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyTUVQJZBMRWBRQM-INIZCTEOSA-N
MW354.41 g/mol
LogP2.86
Rot. Bonds6

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

2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (PubChem CID 42427479) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
PubChem CID42427479
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-18-7-3-2-6-17(18)20(24)22-15-10-8-14(9-11-15)19(23)21-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyTUVQJZBMRWBRQM-INIZCTEOSA-N
XLogP2.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205611
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025379
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 3894665
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
CID 17202343

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (CID 42427479) is 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The InChIKey is TUVQJZBMRWBRQM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-18-7-3-2-6-17(18)20(24)22-15-10-8-14(9-11-15)19(23)21-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 42427479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).