N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide

C18H27NO3 — CID 111331598

IUPACN-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-3-22-16-9-7-15(8-10-16)14-19(2)17(20)13-18(21)11-5-4-6-12-18/h7-10,21H,3-6,11-14H2,1-2H3
InChIKeyCKBCIZFFVRNZMK-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.13
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide

N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 111331598) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
PubChem CID111331598
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-3-22-16-9-7-15(8-10-16)14-19(2)17(20)13-18(21)11-5-4-6-12-18/h7-10,21H,3-6,11-14H2,1-2H3
InChIKeyCKBCIZFFVRNZMK-UHFFFAOYSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430281
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide (CID 111331598) is N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide is CCOc1ccc(CN(C)C(=O)CC2(O)CCCCC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is CKBCIZFFVRNZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-22-16-9-7-15(8-10-16)14-19(2)17(20)13-18(21)11-5-4-6-12-18/h7-10,21H,3-6,11-14H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide?
N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 305.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 111331598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).