N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide

C19H22N2O3 — CID 42017935

IUPACN-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C19H22N2O3/c22-18(15-5-2-1-3-6-15)20-13-14-8-10-16(11-9-14)21-19(23)17-7-4-12-24-17/h4,7-12,15H,1-3,5-6,13H2,(H,20,22)(H,21,23)
InChIKeyGVJYMNDXCYWFFX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.73
Rot. Bonds5

About N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide

N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 42017935) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID42017935
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C19H22N2O3/c22-18(15-5-2-1-3-6-15)20-13-14-8-10-16(11-9-14)21-19(23)17-7-4-12-24-17/h4,7-12,15H,1-3,5-6,13H2,(H,20,22)(H,21,23)
InChIKeyGVJYMNDXCYWFFX-UHFFFAOYSA-N
XLogP3.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700824
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 1272797
N-[4-[(2-cyclohexylacetyl)amino]phenyl]furan-2-carboxamide
CID 30783674
N-benzylcyclopentanecarboxamide
CID 835634
N-[4-[[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 109442468
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
N-[4-[[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 134000496
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide (CID 42017935) is N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNC(=O)C2CCCCC2)cc1)c1ccco1.
What is the InChIKey of N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is GVJYMNDXCYWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(15-5-2-1-3-6-15)20-13-14-8-10-16(11-9-14)21-19(23)17-7-4-12-24-17/h4,7-12,15H,1-3,5-6,13H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide?
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42017935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).