N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide

C18H28N2O — CID 64761440

IUPACN-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
SMILESCC1CCC(Nc2cccc(NC(=O)C(C)C)c2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-12(2)18(21)20-16-7-5-6-15(11-16)19-17-9-8-13(3)10-14(17)4/h5-7,11-14,17,19H,8-10H2,1-4H3,(H,20,21)
InChIKeyCENWPMOOLVKTNW-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.52
Rot. Bonds4

About N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide

N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide (PubChem CID 64761440) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
PubChem CID64761440
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
SMILESCC1CCC(Nc2cccc(NC(=O)C(C)C)c2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-12(2)18(21)20-16-7-5-6-15(11-16)19-17-9-8-13(3)10-14(17)4/h5-7,11-14,17,19H,8-10H2,1-4H3,(H,20,21)
InChIKeyCENWPMOOLVKTNW-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
CID 61309353
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 64773730
3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 64776776
N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
3-[(2,5-dimethylcyclohexyl)amino]phenol
CID 64776789

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide (CID 64761440) is N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide is CC1CCC(Nc2cccc(NC(=O)C(C)C)c2)C(C)C1.
What is the InChIKey of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide?
The InChIKey is CENWPMOOLVKTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(2)18(21)20-16-7-5-6-15(11-16)19-17-9-8-13(3)10-14(17)4/h5-7,11-14,17,19H,8-10H2,1-4H3,(H,20,21).
What are the key properties of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide?
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 64761440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).