N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide

C18H28N2O — CID 79119344

IUPACN-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H28N2O/c1-5-19-16-6-8-17(9-7-16)20(4)18(21)15-11-13(2)10-14(3)12-15/h10-12,16-17,19H,5-9H2,1-4H3
InChIKeySQUSCXQWGHMJBN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide

N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide (PubChem CID 79119344) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
PubChem CID79119344
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H28N2O/c1-5-19-16-6-8-17(9-7-16)20(4)18(21)15-11-13(2)10-14(3)12-15/h10-12,16-17,19H,5-9H2,1-4H3
InChIKeySQUSCXQWGHMJBN-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 79116508
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
CID 107687379
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721216
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
1-[4-(ethylamino)cyclohexyl]-1-methylurea
CID 79122178
ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
CID 79122099
N-[4-(ethylamino)cyclohexyl]-N-methylcyclopropanecarboxamide
CID 79122712
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
N-[4-(ethylamino)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103115670
N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107012641

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide (CID 79119344) is N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide is CCNC1CCC(N(C)C(=O)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide?
The InChIKey is SQUSCXQWGHMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-19-16-6-8-17(9-7-16)20(4)18(21)15-11-13(2)10-14(3)12-15/h10-12,16-17,19H,5-9H2,1-4H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide?
N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 79119344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).