N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide

C20H25NO3 — CID 86941840

IUPACN-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C20H25NO3/c22-20(12-11-17-10-5-13-23-17)21-15-16-6-4-9-19(14-16)24-18-7-2-1-3-8-18/h4-6,9-10,13-14,18H,1-3,7-8,11-12,15H2,(H,21,22)
InChIKeyVLGAAVUKKDVWCO-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.24
Rot. Bonds7

About N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide

N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide (PubChem CID 86941840) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
PubChem CID86941840
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C20H25NO3/c22-20(12-11-17-10-5-13-23-17)21-15-16-6-4-9-19(14-16)24-18-7-2-1-3-8-18/h4-6,9-10,13-14,18H,1-3,7-8,11-12,15H2,(H,21,22)
InChIKeyVLGAAVUKKDVWCO-UHFFFAOYSA-N
XLogP4.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86943873
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea
CID 166213239
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 86783847
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide (CID 86941840) is N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NCc1cccc(OC2CCCCC2)c1.
What is the InChIKey of N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide?
The InChIKey is VLGAAVUKKDVWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-20(12-11-17-10-5-13-23-17)21-15-16-6-4-9-19(14-16)24-18-7-2-1-3-8-18/h4-6,9-10,13-14,18H,1-3,7-8,11-12,15H2,(H,21,22).
What are the key properties of N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide?
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide has a molecular weight of 327.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 86941840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).