1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide

C23H33N3O2 — CID 55585125

IUPAC1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1cccn1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C23H33N3O2/c1-3-20(4-2)22(25-13-15-28-16-14-25)17-24-23(27)21-11-8-12-26(21)18-19-9-6-5-7-10-19/h5-12,20,22H,3-4,13-18H2,1-2H3,(H,24,27)
InChIKeyFJOZECLNVYVEBA-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.40
Rot. Bonds9

About 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide

1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide (PubChem CID 55585125) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
PubChem CID55585125
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1cccn1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C23H33N3O2/c1-3-20(4-2)22(25-13-15-28-16-14-25)17-24-23(27)21-11-8-12-26(21)18-19-9-6-5-7-10-19/h5-12,20,22H,3-4,13-18H2,1-2H3,(H,24,27)
InChIKeyFJOZECLNVYVEBA-UHFFFAOYSA-N
XLogP3.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 30710024
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
CID 95971967
2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46439822
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966875
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
CID 42954539
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 110954798
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
CID 55665915
4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 46539633

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide (CID 55585125) is 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide is CCC(CC)C(CNC(=O)c1cccn1Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide?
The InChIKey is FJOZECLNVYVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-3-20(4-2)22(25-13-15-28-16-14-25)17-24-23(27)21-11-8-12-26(21)18-19-9-6-5-7-10-19/h5-12,20,22H,3-4,13-18H2,1-2H3,(H,24,27).
What are the key properties of 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide?
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55585125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).