N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide

C24H28N2O2 — CID 42763616

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccco1)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-24(21-11-5-2-6-12-21)26(19-23-14-8-16-28-23)18-22-13-7-15-25(22)17-20-9-3-1-4-10-20/h1,3-4,7-10,13-16,21H,2,5-6,11-12,17-19H2
InChIKeyYRCOBNYHNIKJIT-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.24
Rot. Bonds7

About N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 42763616) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
PubChem CID42763616
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccco1)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-24(21-11-5-2-6-12-21)26(19-23-14-8-16-28-23)18-22-13-7-15-25(22)17-20-9-3-1-4-10-20/h1,3-4,7-10,13-16,21H,2,5-6,11-12,17-19H2
InChIKeyYRCOBNYHNIKJIT-UHFFFAOYSA-N
XLogP5.24
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 42763625
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 4044130
N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide
CID 42706156
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butylcyclopropanecarboxamide
CID 3929682
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42776764
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4260122
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 3594954
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 124738294
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3362836

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide (CID 42763616) is N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1ccco1)Cc1cccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is YRCOBNYHNIKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-24(21-11-5-2-6-12-21)26(19-23-14-8-16-28-23)18-22-13-7-15-25(22)17-20-9-3-1-4-10-20/h1,3-4,7-10,13-16,21H,2,5-6,11-12,17-19H2.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 42763616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).