4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide

C20H25N3O4 — CID 4302307

IUPAC4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCCCN3CCOCC3)c2)c1
InChIInChI=1S/C20H25N3O4/c1-26-17-5-2-4-15(12-17)19(24)16-13-18(22-14-16)20(25)21-6-3-7-23-8-10-27-11-9-23/h2,4-5,12-14,22H,3,6-11H2,1H3,(H,21,25)
InChIKeyHJUKHIZHLLMBKR-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.71
Rot. Bonds8

About 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide

4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 4302307) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID4302307
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCCCN3CCOCC3)c2)c1
InChIInChI=1S/C20H25N3O4/c1-26-17-5-2-4-15(12-17)19(24)16-13-18(22-14-16)20(25)21-6-3-7-23-8-10-27-11-9-23/h2,4-5,12-14,22H,3,6-11H2,1H3,(H,21,25)
InChIKeyHJUKHIZHLLMBKR-UHFFFAOYSA-N
XLogP1.71
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide (CID 4302307) is 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide is COc1cccc(C(=O)c2c[nH]c(C(=O)NCCCN3CCOCC3)c2)c1.
What is the InChIKey of 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HJUKHIZHLLMBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-17-5-2-4-15(12-17)19(24)16-13-18(22-14-16)20(25)21-6-3-7-23-8-10-27-11-9-23/h2,4-5,12-14,22H,3,6-11H2,1H3,(H,21,25).
What are the key properties of 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxybenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 4302307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).