1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide

C26H38N4O4 — CID 42789760

IUPAC1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
SMILESCOc1cccc(Cn2c(C)c(N3CCOCC3)c(C)c2C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C26H38N4O4/c1-20-24(29-12-16-34-17-13-29)21(2)30(19-22-6-4-7-23(18-22)32-3)25(20)26(31)27-8-5-9-28-10-14-33-15-11-28/h4,6-7,18H,5,8-17,19H2,1-3H3,(H,27,31)
InChIKeyLIMJPNGDSKKRPT-UHFFFAOYSA-N
MW470.61 g/mol
LogP2.45
Rot. Bonds9

About 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide

1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide (PubChem CID 42789760) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
PubChem CID42789760
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
SMILESCOc1cccc(Cn2c(C)c(N3CCOCC3)c(C)c2C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C26H38N4O4/c1-20-24(29-12-16-34-17-13-29)21(2)30(19-22-6-4-7-23(18-22)32-3)25(20)26(31)27-8-5-9-28-10-14-33-15-11-28/h4,6-7,18H,5,8-17,19H2,1-3H3,(H,27,31)
InChIKeyLIMJPNGDSKKRPT-UHFFFAOYSA-N
XLogP2.45
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrol-2-yl]-morpholin-4-ylmethanone
CID 42789748
3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 46134442
2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24782980
ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate
CID 42789754
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42792459
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972299
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
3-methoxy-2-[(3-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 146497389
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide (CID 42789760) is 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide is COc1cccc(Cn2c(C)c(N3CCOCC3)c(C)c2C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is LIMJPNGDSKKRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-20-24(29-12-16-34-17-13-29)21(2)30(19-22-6-4-7-23(18-22)32-3)25(20)26(31)27-8-5-9-28-10-14-33-15-11-28/h4,6-7,18H,5,8-17,19H2,1-3H3,(H,27,31).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 470.61 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42789760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).