N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide

C26H29NO3 — CID 42706156

IUPACN-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1cccc(OCc2ccccc2)c1)Cc1ccco1
InChIInChI=1S/C26H29NO3/c28-26(23-12-5-2-6-13-23)27(19-25-15-8-16-29-25)18-22-11-7-14-24(17-22)30-20-21-9-3-1-4-10-21/h1,3-4,7-11,14-17,23H,2,5-6,12-13,18-20H2
InChIKeyDWZCIBYGIQJPHN-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.97
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide

N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide (PubChem CID 42706156) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide
PubChem CID42706156
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1cccc(OCc2ccccc2)c1)Cc1ccco1
InChIInChI=1S/C26H29NO3/c28-26(23-12-5-2-6-13-23)27(19-25-15-8-16-29-25)18-22-11-7-14-24(17-22)30-20-21-9-3-1-4-10-21/h1,3-4,7-11,14-17,23H,2,5-6,12-13,18-20H2
InChIKeyDWZCIBYGIQJPHN-UHFFFAOYSA-N
XLogP5.97
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706159
[3-[[cyclopropanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4245890
[3-[[cyclobutanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3269757
N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 42763616
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 124738294
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4260122
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide (CID 42706156) is N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1cccc(OCc2ccccc2)c1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide?
The InChIKey is DWZCIBYGIQJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c28-26(23-12-5-2-6-13-23)27(19-25-15-8-16-29-25)18-22-11-7-14-24(17-22)30-20-21-9-3-1-4-10-21/h1,3-4,7-11,14-17,23H,2,5-6,12-13,18-20H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide?
N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide has a molecular weight of 403.52 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 42706156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).