N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide

C22H26N2O4 — CID 42923990

IUPACN-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)21(25)23-16-9-11-17(12-10-16)24-22(26)19-7-3-4-8-20(19)28-14-18-6-5-13-27-18/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGWENXIWQOQEZIA-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.09
Rot. Bonds7

About N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide

N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42923990) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID42923990
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)21(25)23-16-9-11-17(12-10-16)24-22(26)19-7-3-4-8-20(19)28-14-18-6-5-13-27-18/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGWENXIWQOQEZIA-UHFFFAOYSA-N
XLogP4.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46445892
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-ethoxy-N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]benzamide
CID 8544151
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide (CID 42923990) is N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2OCC2CCCO2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is GWENXIWQOQEZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)21(25)23-16-9-11-17(12-10-16)24-22(26)19-7-3-4-8-20(19)28-14-18-6-5-13-27-18/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42923990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).