4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C19H25N3O2 — CID 8948537

IUPAC4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cc(C(C)=O)c[nH]2)cc1
InChIInChI=1S/C19H25N3O2/c1-4-22(5-2)13-16-8-6-15(7-9-16)11-21-19(24)18-10-17(12-20-18)14(3)23/h6-10,12,20H,4-5,11,13H2,1-3H3,(H,21,24)
InChIKeyZZSSUNVGQSRTJL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.99
Rot. Bonds8

About 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 8948537) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID8948537
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cc(C(C)=O)c[nH]2)cc1
InChIInChI=1S/C19H25N3O2/c1-4-22(5-2)13-16-8-6-15(7-9-16)11-21-19(24)18-10-17(12-20-18)14(3)23/h6-10,12,20H,4-5,11,13H2,1-3H3,(H,21,24)
InChIKeyZZSSUNVGQSRTJL-UHFFFAOYSA-N
XLogP2.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 8948537) is 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2cc(C(C)=O)c[nH]2)cc1.
What is the InChIKey of 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZZSSUNVGQSRTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-22(5-2)13-16-8-6-15(7-9-16)11-21-19(24)18-10-17(12-20-18)14(3)23/h6-10,12,20H,4-5,11,13H2,1-3H3,(H,21,24).
What are the key properties of 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8948537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).