N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

C13H18N2O3 — CID 47162141

IUPACN-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2)cc(OC)c1
InChIInChI=1S/C13H18N2O3/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-5-3-4-6-15/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyKQHLQEZZMCQMOJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.33
Rot. Bonds3

About N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 47162141) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID47162141
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2)cc(OC)c1
InChIInChI=1S/C13H18N2O3/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-5-3-4-6-15/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyKQHLQEZZMCQMOJ-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 4994104
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82860741
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
1-(3,5-dimethoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 17300942
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide
CID 53297658

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 47162141) is N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCCC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KQHLQEZZMCQMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-5-3-4-6-15/h7-9H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47162141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).