4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H26N2O4 — CID 119229808

IUPAC4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCc1c(C(=O)NC2CCC(C(=O)O)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H26N2O4/c1-4-5-14-15(11(3)21)10(2)19-16(14)17(22)20-13-8-6-12(7-9-13)18(23)24/h12-13,19H,4-9H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyWJGQZXQBTAPEHR-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.85
Rot. Bonds6

About 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229808) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229808
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCc1c(C(=O)NC2CCC(C(=O)O)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H26N2O4/c1-4-5-14-15(11(3)21)10(2)19-16(14)17(22)20-13-8-6-12(7-9-13)18(23)24/h12-13,19H,4-9H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyWJGQZXQBTAPEHR-UHFFFAOYSA-N
XLogP2.85
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid 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-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119229808) is 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCc1c(C(=O)NC2CCC(C(=O)O)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WJGQZXQBTAPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-5-14-15(11(3)21)10(2)19-16(14)17(22)20-13-8-6-12(7-9-13)18(23)24/h12-13,19H,4-9H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).