N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide

C22H26N2O4 — CID 17202413

IUPACN-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C22H26N2O4/c1-15(2)28-19-9-4-7-17(13-19)22(26)24-18-8-3-6-16(12-18)21(25)23-14-20-10-5-11-27-20/h3-4,6-9,12-13,15,20H,5,10-11,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBXRSETCWYVCMCG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.63
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide

N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide (PubChem CID 17202413) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
PubChem CID17202413
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C22H26N2O4/c1-15(2)28-19-9-4-7-17(13-19)22(26)24-18-8-3-6-16(12-18)21(25)23-14-20-10-5-11-27-20/h3-4,6-9,12-13,15,20H,5,10-11,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBXRSETCWYVCMCG-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17202715
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
N-(oxolan-2-ylmethyl)-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17202673
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202386
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829955
3-bromo-4-(2-methylpropoxy)-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202376
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide (CID 17202413) is N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide is CC(C)Oc1cccc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The InChIKey is BXRSETCWYVCMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)28-19-9-4-7-17(13-19)22(26)24-18-8-3-6-16(12-18)21(25)23-14-20-10-5-11-27-20/h3-4,6-9,12-13,15,20H,5,10-11,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide?
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide is sourced from PubChem (CID 17202413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).