1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide

C23H33N3O3 — CID 55910695

IUPAC1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)NCC(C(C)C)N3CCOCC3)c2C)c1
InChIInChI=1S/C23H33N3O3/c1-16(2)22(25-9-11-29-12-10-25)15-24-23(27)21-13-17(3)26(18(21)4)19-7-6-8-20(14-19)28-5/h6-8,13-14,16,22H,9-12,15H2,1-5H3,(H,24,27)
InChIKeyXJQKOKHKEBNYIK-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.19
Rot. Bonds7

About 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide

1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide (PubChem CID 55910695) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide
PubChem CID55910695
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)NCC(C(C)C)N3CCOCC3)c2C)c1
InChIInChI=1S/C23H33N3O3/c1-16(2)22(25-9-11-29-12-10-25)15-24-23(27)21-13-17(3)26(18(21)4)19-7-6-8-20(14-19)28-5/h6-8,13-14,16,22H,9-12,15H2,1-5H3,(H,24,27)
InChIKeyXJQKOKHKEBNYIK-UHFFFAOYSA-N
XLogP3.19
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55651605
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55573458
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111679775
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
CID 44902864
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
CID 92626787
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55678327
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55348072
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55972659

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide (CID 55910695) is 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide is COc1cccc(-n2c(C)cc(C(=O)NCC(C(C)C)N3CCOCC3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide?
The InChIKey is XJQKOKHKEBNYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-16(2)22(25-9-11-29-12-10-25)15-24-23(27)21-13-17(3)26(18(21)4)19-7-6-8-20(14-19)28-5/h6-8,13-14,16,22H,9-12,15H2,1-5H3,(H,24,27).
What are the key properties of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide?
1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55910695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).