ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate

C24H38N2O3 — CID 20917621

IUPACethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC2CCC(C(=O)N(C)C3CCCCC3)CC2)c1C
InChIInChI=1S/C24H38N2O3/c1-5-29-24(28)22-15-17(2)26(18(22)3)16-19-11-13-20(14-12-19)23(27)25(4)21-9-7-6-8-10-21/h15,19-21H,5-14,16H2,1-4H3
InChIKeyFABYCXBQPWLWHE-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.88
Rot. Bonds6

About ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate

ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 20917621) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate
PubChem CID20917621
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Nameethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC2CCC(C(=O)N(C)C3CCCCC3)CC2)c1C
InChIInChI=1S/C24H38N2O3/c1-5-29-24(28)22-15-17(2)26(18(22)3)16-19-11-13-20(14-12-19)23(27)25(4)21-9-7-6-8-10-21/h15,19-21H,5-14,16H2,1-4H3
InChIKeyFABYCXBQPWLWHE-UHFFFAOYSA-N
XLogP4.88
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 90379201
ethyl 1-[[4-[(3-fluorophenyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate
CID 20917613
ethyl 2,5-dimethyl-1-[[4-[2-(4-methylphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyrrole-3-carboxylate
CID 20917626
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 2,5-dimethyl-1-[[4-[(3-methylsulfanylphenyl)carbamoyl]cyclohexyl]methyl]pyrrole-3-carboxylate
CID 20917628
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
N-[(1S,2S)-2-carbamoylcycloheptyl]-1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97224102
2-chloro-1-[1-(cyclopentylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 43371272
2-bromo-1-[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]butan-1-one
CID 116791195
2-bromo-1-[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 116791196
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate (CID 20917621) is ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(CC2CCC(C(=O)N(C)C3CCCCC3)CC2)c1C.
What is the InChIKey of ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is FABYCXBQPWLWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-5-29-24(28)22-15-17(2)26(18(22)3)16-19-11-13-20(14-12-19)23(27)25(4)21-9-7-6-8-10-21/h15,19-21H,5-14,16H2,1-4H3.
What are the key properties of ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate?
ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 402.58 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-[cyclohexyl(methyl)carbamoyl]cyclohexyl]methyl]-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20917621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).