N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide

C18H28N2O — CID 65080069

IUPACN-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC2CCCC(C)CC2)c1
InChIInChI=1S/C18H28N2O/c1-4-19-18(21)15-10-9-14(3)17(12-15)20-16-7-5-6-13(2)8-11-16/h9-10,12-13,16,20H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyKAEARXOCLLDXGG-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.13
Rot. Bonds4

About N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide

N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide (PubChem CID 65080069) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
PubChem CID65080069
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC2CCCC(C)CC2)c1
InChIInChI=1S/C18H28N2O/c1-4-19-18(21)15-10-9-14(3)17(12-15)20-16-7-5-6-13(2)8-11-16/h9-10,12-13,16,20H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyKAEARXOCLLDXGG-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
3-[(1,1-dioxothian-4-yl)amino]-N-ethyl-4-methylbenzamide
CID 43734956
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 60934848
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide?
The IUPAC name of N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide (CID 65080069) is N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide is CCNC(=O)c1ccc(C)c(NC2CCCC(C)CC2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide?
The InChIKey is KAEARXOCLLDXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-18(21)15-10-9-14(3)17(12-15)20-16-7-5-6-13(2)8-11-16/h9-10,12-13,16,20H,4-8,11H2,1-3H3,(H,19,21).
What are the key properties of N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide?
N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide is sourced from PubChem (CID 65080069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).