N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide

C18H27NO3 — CID 110003368

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CC2CCCCC2O)ccc1C
InChIInChI=1S/C18H27NO3/c1-13-8-9-14(10-17(13)22-3)11-18(21)19(2)12-15-6-4-5-7-16(15)20/h8-10,15-16,20H,4-7,11-12H2,1-3H3
InChIKeyRUXQQKOYWLVDLR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.56
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide

N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide (PubChem CID 110003368) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
PubChem CID110003368
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CC2CCCCC2O)ccc1C
InChIInChI=1S/C18H27NO3/c1-13-8-9-14(10-17(13)22-3)11-18(21)19(2)12-15-6-4-5-7-16(15)20/h8-10,15-16,20H,4-7,11-12H2,1-3H3
InChIKeyRUXQQKOYWLVDLR-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide
CID 109399825
2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
CID 110003292
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 110003767
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 115759889
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 110011425
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol
CID 71159032
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 109397833

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide (CID 110003368) is N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide is COc1cc(CC(=O)N(C)CC2CCCCC2O)ccc1C.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The InChIKey is RUXQQKOYWLVDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13-8-9-14(10-17(13)22-3)11-18(21)19(2)12-15-6-4-5-7-16(15)20/h8-10,15-16,20H,4-7,11-12H2,1-3H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide has a molecular weight of 305.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 110003368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).