1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide

C22H26N2O4 — CID 109053079

IUPAC1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)28-19-10-8-18(9-11-19)24-22(26)17-6-3-5-16(13-17)21(25)23-14-20-7-4-12-27-20/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKGQRBSPUSUJJCH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.63
Rot. Bonds7

About 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide

1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109053079) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109053079
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)28-19-10-8-18(9-11-19)24-22(26)17-6-3-5-16(13-17)21(25)23-14-20-7-4-12-27-20/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKGQRBSPUSUJJCH-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)amino]benzamide
CID 17202413
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
N-(oxolan-2-ylmethyl)-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17202673
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17202715
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829955
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202386
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (CID 109053079) is 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is CC(C)Oc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is KGQRBSPUSUJJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)28-19-10-8-18(9-11-19)24-22(26)17-6-3-5-16(13-17)21(25)23-14-20-7-4-12-27-20/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide 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 1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).