4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C21H29N3O2 — CID 3244070

IUPAC4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1cccc(C)c1
InChIInChI=1S/C21H29N3O2/c1-6-24(18-10-7-9-14(2)13-18)12-8-11-22-21(26)20-15(3)19(17(5)25)16(4)23-20/h7,9-10,13,23H,6,8,11-12H2,1-5H3,(H,22,26)
InChIKeyUIKOWBSDFBMOPR-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.79
Rot. Bonds8

About 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 3244070) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID3244070
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1cccc(C)c1
InChIInChI=1S/C21H29N3O2/c1-6-24(18-10-7-9-14(2)13-18)12-8-11-22-21(26)20-15(3)19(17(5)25)16(4)23-20/h7,9-10,13,23H,6,8,11-12H2,1-5H3,(H,22,26)
InChIKeyUIKOWBSDFBMOPR-UHFFFAOYSA-N
XLogP3.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 3244070) is 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN(CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1cccc(C)c1.
What is the InChIKey of 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is UIKOWBSDFBMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-6-24(18-10-7-9-14(2)13-18)12-8-11-22-21(26)20-15(3)19(17(5)25)16(4)23-20/h7,9-10,13,23H,6,8,11-12H2,1-5H3,(H,22,26).
What are the key properties of 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3244070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).