N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide

C20H26N2O — CID 46328271

IUPACN-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1
InChIInChI=1S/C20H26N2O/c1-2-17-8-10-18(11-9-17)16-21-19(23)20(12-4-3-5-13-20)22-14-6-7-15-22/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,21,23)
InChIKeyXQGIAECTZFDEOJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.03
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide

N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 46328271) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID46328271
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1
InChIInChI=1S/C20H26N2O/c1-2-17-8-10-18(11-9-17)16-21-19(23)20(12-4-3-5-13-20)22-14-6-7-15-22/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,21,23)
InChIKeyXQGIAECTZFDEOJ-UHFFFAOYSA-N
XLogP4.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328262
N-[3-[benzyl(methyl)amino]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328251
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71705084
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one
CID 156688474
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid
CID 106900448
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328254
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
(4aR,8aR)-N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-3H-quinoline-4a-carboxamide
CID 91925269
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide (CID 46328271) is N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide is CCc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is XQGIAECTZFDEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-17-8-10-18(11-9-17)16-21-19(23)20(12-4-3-5-13-20)22-14-6-7-15-22/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,21,23).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 46328271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).