N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C18H26N4O3 — CID 50950015

IUPACN-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C18H26N4O3/c23-17(14-5-6-19-13-14)21-16-4-2-1-3-15(16)18(24)20-7-8-22-9-11-25-12-10-22/h1-4,14,19H,5-13H2,(H,20,24)(H,21,23)
InChIKeyNLQXDQJOPACNLK-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.30
Rot. Bonds6

About N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 50950015) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID50950015
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C18H26N4O3/c23-17(14-5-6-19-13-14)21-16-4-2-1-3-15(16)18(24)20-7-8-22-9-11-25-12-10-22/h1-4,14,19H,5-13H2,(H,20,24)(H,21,23)
InChIKeyNLQXDQJOPACNLK-UHFFFAOYSA-N
XLogP0.30
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63006645
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679402
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 50949083
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
N-[2-(ethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119284316
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119850140
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 50950015) is N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCCN1CCOCC1)c1ccccc1NC(=O)C1CCNC1.
What is the InChIKey of N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NLQXDQJOPACNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(14-5-6-19-13-14)21-16-4-2-1-3-15(16)18(24)20-7-8-22-9-11-25-12-10-22/h1-4,14,19H,5-13H2,(H,20,24)(H,21,23).
What are the key properties of N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50950015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).