N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

C17H26N2O2 — CID 110883640

IUPACN-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C2CCCCC2O)c1C
InChIInChI=1S/C17H26N2O2/c1-12-7-6-8-14(13(12)2)18-17(21)11-19(3)15-9-4-5-10-16(15)20/h6-8,15-16,20H,4-5,9-11H2,1-3H3,(H,18,21)
InChIKeyVFBFKCNDVWMTRA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (PubChem CID 110883640) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
PubChem CID110883640
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C2CCCCC2O)c1C
InChIInChI=1S/C17H26N2O2/c1-12-7-6-8-14(13(12)2)18-17(21)11-19(3)15-9-4-5-10-16(15)20/h6-8,15-16,20H,4-5,9-11H2,1-3H3,(H,18,21)
InChIKeyVFBFKCNDVWMTRA-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98205725
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
2-[cyclopentyl(methyl)amino]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 51282081
N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102636426
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113148924
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102631536
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide
CID 97072442
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (CID 110883640) is N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is Cc1cccc(NC(=O)CN(C)C2CCCCC2O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The InChIKey is VFBFKCNDVWMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-6-8-14(13(12)2)18-17(21)11-19(3)15-9-4-5-10-16(15)20/h6-8,15-16,20H,4-5,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is sourced from PubChem (CID 110883640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).