1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide

C23H35N3O3 — CID 112813971

IUPAC1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H35N3O3/c1-3-18(4-2)21(25-13-15-29-16-14-25)17-24-22(27)20-11-8-12-26(20)23(28)19-9-6-5-7-10-19/h5-7,9-10,18,20-21H,3-4,8,11-17H2,1-2H3,(H,24,27)
InChIKeyINICOQUGMSCQHV-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.54
Rot. Bonds8

About 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide

1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide (PubChem CID 112813971) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
PubChem CID112813971
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H35N3O3/c1-3-18(4-2)21(25-13-15-29-16-14-25)17-24-22(27)20-11-8-12-26(20)23(28)19-9-6-5-7-10-19/h5-7,9-10,18,20-21H,3-4,8,11-17H2,1-2H3,(H,24,27)
InChIKeyINICOQUGMSCQHV-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78863262
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134053091
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide
CID 112813754
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46529363
N-(2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78861390
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide (CID 112813971) is 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide is CCC(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide?
The InChIKey is INICOQUGMSCQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-3-18(4-2)21(25-13-15-29-16-14-25)17-24-22(27)20-11-8-12-26(20)23(28)19-9-6-5-7-10-19/h5-7,9-10,18,20-21H,3-4,8,11-17H2,1-2H3,(H,24,27).
What are the key properties of 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide?
1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112813971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).