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

C17H26N2O — CID 66418273

IUPACN-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1CCC(C)CC1C
InChIInChI=1S/C17H26N2O/c1-12-8-9-16(13(2)10-12)18-11-15-6-4-5-7-17(15)19-14(3)20/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyJTKXAJNTNWRFLU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.56
Rot. Bonds4

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

N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide (PubChem CID 66418273) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide
PubChem CID66418273
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1CCC(C)CC1C
InChIInChI=1S/C17H26N2O/c1-12-8-9-16(13(2)10-12)18-11-15-6-4-5-7-17(15)19-14(3)20/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyJTKXAJNTNWRFLU-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103251979
methyl 2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoate
CID 63995434
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63994904
N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 115907309
N-[2-(ethylaminomethyl)phenyl]-2-(3-methylcyclopentyl)acetamide
CID 119440088
N-(4-chlorophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63995689
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904706

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide (CID 66418273) is N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC1CCC(C)CC1C.
What is the InChIKey of N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide?
The InChIKey is JTKXAJNTNWRFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-9-16(13(2)10-12)18-11-15-6-4-5-7-17(15)19-14(3)20/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide?
N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 66418273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).