2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid

C17H26N2O3 — CID 53095976

IUPAC2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O3/c1-3-19-11-12(2)16(17(21)22)14(19)10-15(20)18-13-8-6-4-5-7-9-13/h11,13H,3-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyYKIBCYXUYUHHAV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid

2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid (PubChem CID 53095976) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
PubChem CID53095976
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O3/c1-3-19-11-12(2)16(17(21)22)14(19)10-15(20)18-13-8-6-4-5-7-9-13/h11,13H,3-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyYKIBCYXUYUHHAV-UHFFFAOYSA-N
XLogP2.90
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 126476902
N-cyclopentyl-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 35762567
N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
The IUPAC name of 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid (CID 53095976) is 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid is CCn1cc(C)c(C(=O)O)c1CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
The InChIKey is YKIBCYXUYUHHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-19-11-12(2)16(17(21)22)14(19)10-15(20)18-13-8-6-4-5-7-9-13/h11,13H,3-10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid?
2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid has a molecular weight of 306.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloheptylamino)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 53095976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).