2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide

C17H26N2O2 — CID 62551845

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNC1(CO)CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13-7-9-17(12-20,10-8-13)18-11-16(21)19-15-6-4-3-5-14(15)2/h3-6,13,18,20H,7-12H2,1-2H3,(H,19,21)
InChIKeyJZYXZXLHZBLIAE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds5

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide (PubChem CID 62551845) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide
PubChem CID62551845
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNC1(CO)CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13-7-9-17(12-20,10-8-13)18-11-16(21)19-15-6-4-3-5-14(15)2/h3-6,13,18,20H,7-12H2,1-2H3,(H,19,21)
InChIKeyJZYXZXLHZBLIAE-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
2-[(3-methylcyclopentyl)methylamino]-N-(2-methylphenyl)acetamide
CID 107412858
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylaniline
CID 65379472
2-[(2-methylcyclopropyl)amino]-N-(2-methylphenyl)acetamide
CID 62398147
2-(cyclopentyloxyamino)-N-(2-methylphenyl)acetamide
CID 83228788
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
CID 62527967
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527500
phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
CID 62526000
N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
CID 65116145

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide (CID 62551845) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNC1(CO)CCC(C)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide?
The InChIKey is JZYXZXLHZBLIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-9-17(12-20,10-8-13)18-11-16(21)19-15-6-4-3-5-14(15)2/h3-6,13,18,20H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 62551845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).