N-cycloheptyl-4-(ethylamino)-3-methylbenzamide

C17H26N2O — CID 63210563

IUPACN-cycloheptyl-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-3-18-16-11-10-14(12-13(16)2)17(20)19-15-8-6-4-5-7-9-15/h10-12,15,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyGEVIKYUTYWFBGG-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.88
Rot. Bonds4

About N-cycloheptyl-4-(ethylamino)-3-methylbenzamide

N-cycloheptyl-4-(ethylamino)-3-methylbenzamide (PubChem CID 63210563) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cycloheptyl-4-(ethylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(ethylamino)-3-methylbenzamide
PubChem CID63210563
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-cycloheptyl-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-3-18-16-11-10-14(12-13(16)2)17(20)19-15-8-6-4-5-7-9-15/h10-12,15,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyGEVIKYUTYWFBGG-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(ethylamino)-3-methylbenzamide?
The IUPAC name of N-cycloheptyl-4-(ethylamino)-3-methylbenzamide (CID 63210563) is N-cycloheptyl-4-(ethylamino)-3-methylbenzamide.
What is the SMILES notation for N-cycloheptyl-4-(ethylamino)-3-methylbenzamide?
The canonical SMILES for N-cycloheptyl-4-(ethylamino)-3-methylbenzamide is CCNc1ccc(C(=O)NC2CCCCCC2)cc1C.
What is the InChIKey of N-cycloheptyl-4-(ethylamino)-3-methylbenzamide?
The InChIKey is GEVIKYUTYWFBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-18-16-11-10-14(12-13(16)2)17(20)19-15-8-6-4-5-7-9-15/h10-12,15,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of N-cycloheptyl-4-(ethylamino)-3-methylbenzamide?
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(ethylamino)-3-methylbenzamide is sourced from PubChem (CID 63210563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).