N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide

C18H28N2O — CID 65084455

IUPACN-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CCCC(CC)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-14-6-5-7-16(11-8-14)20-17-12-9-15(10-13-17)18(21)19-4-2/h9-10,12-14,16,20H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyHIDRLMGBJVBAEQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.21
Rot. Bonds5

About N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide

N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide (PubChem CID 65084455) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
PubChem CID65084455
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CCCC(CC)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-14-6-5-7-16(11-8-14)20-17-12-9-15(10-13-17)18(21)19-4-2/h9-10,12-14,16,20H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyHIDRLMGBJVBAEQ-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide
CID 65084031
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
CID 43730246
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide?
The IUPAC name of N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide (CID 65084455) is N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide?
The canonical SMILES for N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide is CCNC(=O)c1ccc(NC2CCCC(CC)CC2)cc1.
What is the InChIKey of N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide?
The InChIKey is HIDRLMGBJVBAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-14-6-5-7-16(11-8-14)20-17-12-9-15(10-13-17)18(21)19-4-2/h9-10,12-14,16,20H,3-8,11H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide?
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide is sourced from PubChem (CID 65084455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).