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

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Related Compounds

4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 15997837
4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120577658
4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55858740
4-acetyl-3-ethyl-5-methyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119451704
4-acetyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120946611
6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 119220023
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 94695254
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120508905
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 47265588

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).