2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide

C18H28N2O — CID 64763046

IUPAC2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NC2CC(C)CCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-4-19-18(21)12-15-7-9-16(10-8-15)20-17-11-13(2)5-6-14(17)3/h7-10,13-14,17,20H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyFUDJIXIQCNDDEG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide

2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide (PubChem CID 64763046) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide
PubChem CID64763046
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NC2CC(C)CCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-4-19-18(21)12-15-7-9-16(10-8-15)20-17-11-13(2)5-6-14(17)3/h7-10,13-14,17,20H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyFUDJIXIQCNDDEG-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylcyclohexyl)-4-pentylaniline
CID 64776176
4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 64761637
N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide
CID 75472347
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
N-ethyl-2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]acetamide
CID 115950017
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
3-[(2,5-dimethylcyclohexyl)amino]phenol
CID 64776789
N-ethyl-2-[4-(octylamino)phenyl]acetamide
CID 43737514
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667
N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 64773730
2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide
CID 115917694

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide?
The IUPAC name of 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide (CID 64763046) is 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(NC2CC(C)CCC2C)cc1.
What is the InChIKey of 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide?
The InChIKey is FUDJIXIQCNDDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-18(21)12-15-7-9-16(10-8-15)20-17-11-13(2)5-6-14(17)3/h7-10,13-14,17,20H,4-6,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide?
2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide has a molecular weight of 288.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide is sourced from PubChem (CID 64763046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).