N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C15H21N3O3 — CID 18071622

IUPACN-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C15H21N3O3/c1-21-10-9-17-14(19)11-5-2-3-6-12(11)18-15(20)13-7-4-8-16-13/h2-3,5-6,13,16H,4,7-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyGVZVKXNLBKPKQB-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds6

About N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 18071622) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID18071622
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C15H21N3O3/c1-21-10-9-17-14(19)11-5-2-3-6-12(11)18-15(20)13-7-4-8-16-13/h2-3,5-6,13,16H,4,7-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyGVZVKXNLBKPKQB-UHFFFAOYSA-N
XLogP0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18072900
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 18071622) is N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is COCCNC(=O)c1ccccc1NC(=O)C1CCCN1.
What is the InChIKey of N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GVZVKXNLBKPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-10-9-17-14(19)11-5-2-3-6-12(11)18-15(20)13-7-4-8-16-13/h2-3,5-6,13,16H,4,7-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 18071622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).