2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide

C18H28N2O2 — CID 71863517

IUPAC2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide
SMILESCCN(CC(=O)NCC1(C)CCCCC1O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-20(15-9-5-4-6-10-15)13-17(22)19-14-18(2)12-8-7-11-16(18)21/h4-6,9-10,16,21H,3,7-8,11-14H2,1-2H3,(H,19,22)
InChIKeyIZKDTPFMRFGQDE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds6

About 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide

2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide (PubChem CID 71863517) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide
PubChem CID71863517
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide
SMILESCCN(CC(=O)NCC1(C)CCCCC1O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-20(15-9-5-4-6-10-15)13-17(22)19-14-18(2)12-8-7-11-16(18)21/h4-6,9-10,16,21H,3,7-8,11-14H2,1-2H3,(H,19,22)
InChIKeyIZKDTPFMRFGQDE-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(phenylamino)acetamide
CID 11256722
N-cyclohexyl-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51108559
N1-(2-cyclohexyl-2-hydroxyethyl)-N2-(3,4-difluorophenyl)oxalamide
CID 56764345
N~1~-(2-hydroxy-2-phenylethyl)-N~2~-phenylethanediamide
CID 2883212
N1-((1-(hydroxymethyl)cyclopropyl)methyl)-N2-(4-isopropylphenyl)oxalamide
CID 49670962
N1-(3-hydroxy-4,4-dimethylpentyl)-N2-mesityloxalamide
CID 71787632
2-(4-hydroxypiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 36800689
N1-(2-cyclohexyl-2-hydroxyethyl)-N2-(4-(trifluoromethyl)phenyl)oxalamide
CID 56764358
N1-(3,4-difluorophenyl)-N2-(2-hydroxy-3-phenylpropyl)oxalamide
CID 56765309
(1R*,3S*)-3-methoxy-3-methyl-7-(N-methyl-N-phenylglycyl)-7-azaspiro[3.5]nonan-1-ol
CID 70711657
N'-(2,6-difluorophenyl)-N-[(2-hydroxycyclohexyl)methyl]oxamide
CID 72002308
N-[(2-hydroxycyclohexyl)methyl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
CID 72002314

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide (CID 71863517) is 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide is CCN(CC(=O)NCC1(C)CCCCC1O)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide?
The InChIKey is IZKDTPFMRFGQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-20(15-9-5-4-6-10-15)13-17(22)19-14-18(2)12-8-7-11-16(18)21/h4-6,9-10,16,21H,3,7-8,11-14H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide?
2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 71863517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).