2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide

C17H26N2O2 — CID 72887819

IUPAC2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)NC2CCC(O)CC2)N(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-4-6-13(11-12)16(19(2)3)17(21)18-14-7-9-15(20)10-8-14/h4-6,11,14-16,20H,7-10H2,1-3H3,(H,18,21)
InChIKeyAVMLHQIHXMBNKW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.02
Rot. Bonds4

About 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide

2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide (PubChem CID 72887819) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
PubChem CID72887819
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)NC2CCC(O)CC2)N(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-4-6-13(11-12)16(19(2)3)17(21)18-14-7-9-15(20)10-8-14/h4-6,11,14-16,20H,7-10H2,1-3H3,(H,18,21)
InChIKeyAVMLHQIHXMBNKW-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
2-(dimethylamino)-2-phenyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119387962
(2R)-2-(dimethylamino)-N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 97154573
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
CID 4177926
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
CID 147447652
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide (CID 72887819) is 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide is Cc1cccc(C(C(=O)NC2CCC(O)CC2)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide?
The InChIKey is AVMLHQIHXMBNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-4-6-13(11-12)16(19(2)3)17(21)18-14-7-9-15(20)10-8-14/h4-6,11,14-16,20H,7-10H2,1-3H3,(H,18,21).
What are the key properties of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide?
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 72887819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).