N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C23H25NO3 — CID 18287633

IUPACN-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1oc2ccccc2c1COc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H25NO3/c1-24(17-10-4-2-5-11-17)23(25)22-20(16-26-18-12-6-3-7-13-18)19-14-8-9-15-21(19)27-22/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3
InChIKeyXMWTZWKPQDDKRK-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.42
Rot. Bonds5

About N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 18287633) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID18287633
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1oc2ccccc2c1COc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H25NO3/c1-24(17-10-4-2-5-11-17)23(25)22-20(16-26-18-12-6-3-7-13-18)19-14-8-9-15-21(19)27-22/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3
InChIKeyXMWTZWKPQDDKRK-UHFFFAOYSA-N
XLogP5.42
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 55675605
N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 36840872
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 46808303
N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55744913
N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119601780
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 32517009
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 31929309
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7542257

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 18287633) is N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CN(C(=O)c1oc2ccccc2c1COc1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XMWTZWKPQDDKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-24(17-10-4-2-5-11-17)23(25)22-20(16-26-18-12-6-3-7-13-18)19-14-8-9-15-21(19)27-22/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18287633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).