N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide

C13H16N2O3 — CID 70940978

IUPACN-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(C(=O)NC(=O)C2CCCN2)c1
InChIInChI=1S/C13H16N2O3/c1-18-10-5-2-4-9(8-10)12(16)15-13(17)11-6-3-7-14-11/h2,4-5,8,11,14H,3,6-7H2,1H3,(H,15,16,17)
InChIKeyKNGQMBTXRZIOAF-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.70
Rot. Bonds3

About N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide

N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 70940978) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID70940978
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(C(=O)NC(=O)C2CCCN2)c1
InChIInChI=1S/C13H16N2O3/c1-18-10-5-2-4-9(8-10)12(16)15-13(17)11-6-3-7-14-11/h2,4-5,8,11,14H,3,6-7H2,1H3,(H,15,16,17)
InChIKeyKNGQMBTXRZIOAF-UHFFFAOYSA-N
XLogP0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(2S)-N-(4-cyanobenzoyl)pyrrolidine-2-carboxamide
CID 20613025
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
N-cyclopropyl-3-methoxybenzamide
CID 900156
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide (CID 70940978) is N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide is COc1cccc(C(=O)NC(=O)C2CCCN2)c1.
What is the InChIKey of N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is KNGQMBTXRZIOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-10-5-2-4-9(8-10)12(16)15-13(17)11-6-3-7-14-11/h2,4-5,8,11,14H,3,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide?
N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70940978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).