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

C20H22N2O4 — CID 1217033

IUPAC3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1
InChIInChI=1S/C20H22N2O4/c1-25-17-5-2-4-15(12-17)20(24)22-16-9-7-14(8-10-16)19(23)21-13-18-6-3-11-26-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyKMVVGANADIRZAB-SFHVURJKSA-N
MW354.41 g/mol
LogP2.86
Rot. Bonds6

About 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide

3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (PubChem CID 1217033) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
PubChem CID1217033
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1
InChIInChI=1S/C20H22N2O4/c1-25-17-5-2-4-15(12-17)20(24)22-16-9-7-14(8-10-16)19(23)21-13-18-6-3-11-26-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyKMVVGANADIRZAB-SFHVURJKSA-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

3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
3-ethoxy-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17206006
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
3-[(4-methoxybenzoyl)carbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42580174
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (CID 1217033) is 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The InChIKey is KMVVGANADIRZAB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-5-2-4-15(12-17)20(24)22-16-9-7-14(8-10-16)19(23)21-13-18-6-3-11-26-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
3-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 3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 1217033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).