N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide

C18H28N2O — CID 114540826

IUPACN-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-5-10-19-14-6-7-16(13(2)11-14)17(21)20-15-8-9-18(3,4)12-15/h6-7,11,15,19H,5,8-10,12H2,1-4H3,(H,20,21)
InChIKeyXAAAUJBHYAMBEZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.13
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide

N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide (PubChem CID 114540826) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide
PubChem CID114540826
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-5-10-19-14-6-7-16(13(2)11-14)17(21)20-15-8-9-18(3,4)12-15/h6-7,11,15,19H,5,8-10,12H2,1-4H3,(H,20,21)
InChIKeyXAAAUJBHYAMBEZ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide (CID 114540826) is N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NC2CCC(C)(C)C2)c(C)c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide?
The InChIKey is XAAAUJBHYAMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-10-19-14-6-7-16(13(2)11-14)17(21)20-15-8-9-18(3,4)12-15/h6-7,11,15,19H,5,8-10,12H2,1-4H3,(H,20,21).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide?
N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide is sourced from PubChem (CID 114540826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).