N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide

C21H24N2O3 — CID 109044330

IUPACN-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-8-4-3-7-18(19)22-20(24)16-9-11-17(12-10-16)21(25)23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,24)
InChIKeyUKVVOXOYYXLVFQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.96
Rot. Bonds5

About N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide

N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044330) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044330
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-8-4-3-7-18(19)22-20(24)16-9-11-17(12-10-16)21(25)23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,24)
InChIKeyUKVVOXOYYXLVFQ-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54831212
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109162030
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044330) is N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is UKVVOXOYYXLVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)26-19-8-4-3-7-18(19)22-20(24)16-9-11-17(12-10-16)21(25)23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).