3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride

C18H29ClN2O — CID 2843030

IUPAC3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CCNC2CCCCC2)c(C)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-11-14(2)18(15(3)12-13)20-17(21)9-10-19-16-7-5-4-6-8-16;/h11-12,16,19H,4-10H2,1-3H3,(H,20,21);1H
InChIKeyYLTHDBRGMWUNTF-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.28
Rot. Bonds5

About 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride

3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride (PubChem CID 2843030) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
PubChem CID2843030
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CCNC2CCCCC2)c(C)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-11-14(2)18(15(3)12-13)20-17(21)9-10-19-16-7-5-4-6-8-16;/h11-12,16,19H,4-10H2,1-3H3,(H,20,21);1H
InChIKeyYLTHDBRGMWUNTF-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
CID 109031654
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] cyclohexanecarboxylate
CID 2430456

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride (CID 2843030) is 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride is Cc1cc(C)c(NC(=O)CCNC2CCCCC2)c(C)c1.Cl.
What is the InChIKey of 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
The InChIKey is YLTHDBRGMWUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13-11-14(2)18(15(3)12-13)20-17(21)9-10-19-16-7-5-4-6-8-16;/h11-12,16,19H,4-10H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 2843030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).