N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C20H26N2O2 — CID 32759998

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)c(C)n1Cc1ccco1
InChIInChI=1S/C20H26N2O2/c1-15-13-19(16(2)22(15)14-18-9-6-12-24-18)20(23)21-11-10-17-7-4-3-5-8-17/h6-7,9,12-13H,3-5,8,10-11,14H2,1-2H3,(H,21,23)
InChIKeyLKNWISDZQTWTRM-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.37
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 32759998) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID32759998
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)c(C)n1Cc1ccco1
InChIInChI=1S/C20H26N2O2/c1-15-13-19(16(2)22(15)14-18-9-6-12-24-18)20(23)21-11-10-17-7-4-3-5-8-17/h6-7,9,12-13H,3-5,8,10-11,14H2,1-2H3,(H,21,23)
InChIKeyLKNWISDZQTWTRM-UHFFFAOYSA-N
XLogP4.37
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 43047470
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide
CID 33117205
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide
CID 46599371
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109275380

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 32759998) is N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCC2=CCCCC2)c(C)n1Cc1ccco1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is LKNWISDZQTWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-13-19(16(2)22(15)14-18-9-6-12-24-18)20(23)21-11-10-17-7-4-3-5-8-17/h6-7,9,12-13H,3-5,8,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 32759998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).