2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide

C18H28N2O — CID 64761637

IUPAC2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
SMILESCC1CCC(Nc2ccc(CC(=O)N(C)C)cc2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-13-5-10-17(14(2)11-13)19-16-8-6-15(7-9-16)12-18(21)20(3)4/h6-9,13-14,17,19H,5,10-12H2,1-4H3
InChIKeyHQIYGFQXYBSZMT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.55
Rot. Bonds4

About 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide

2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide (PubChem CID 64761637) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
PubChem CID64761637
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
SMILESCC1CCC(Nc2ccc(CC(=O)N(C)C)cc2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-13-5-10-17(14(2)11-13)19-16-8-6-15(7-9-16)12-18(21)20(3)4/h6-9,13-14,17,19H,5,10-12H2,1-4H3
InChIKeyHQIYGFQXYBSZMT-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
CID 105364118
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide
CID 64763046
2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720805
propyl 4-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64761592
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
CID 79707370
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
CID 64761440
N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide
CID 97332615
2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 64762878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide (CID 64761637) is 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide is CC1CCC(Nc2ccc(CC(=O)N(C)C)cc2)C(C)C1.
What is the InChIKey of 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is HQIYGFQXYBSZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-5-10-17(14(2)11-13)19-16-8-6-15(7-9-16)12-18(21)20(3)4/h6-9,13-14,17,19H,5,10-12H2,1-4H3.
What are the key properties of 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 288.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 64761637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).