3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide

C17H26N2O — CID 109014195

IUPAC3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNC2CCCCC2)c1C
InChIInChI=1S/C17H26N2O/c1-13-7-6-10-16(14(13)2)19-17(20)11-12-18-15-8-4-3-5-9-15/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeySSCCYRGPCBEEKL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.55
Rot. Bonds5

About 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide

3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 109014195) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
PubChem CID109014195
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNC2CCCCC2)c1C
InChIInChI=1S/C17H26N2O/c1-13-7-6-10-16(14(13)2)19-17(20)11-12-18-15-8-4-3-5-9-15/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeySSCCYRGPCBEEKL-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109031581
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118004
3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
CID 2843030
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide (CID 109014195) is 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCNC2CCCCC2)c1C.
What is the InChIKey of 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is SSCCYRGPCBEEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-6-10-16(14(13)2)19-17(20)11-12-18-15-8-4-3-5-9-15/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide?
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 109014195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).