N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide

C18H28N2O — CID 43319342

IUPACN-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CCCN)C2CCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-11-14(2)17(15(3)12-13)18(21)20(10-6-9-19)16-7-4-5-8-16/h11-12,16H,4-10,19H2,1-3H3
InChIKeyGTVGAKDBILJCIX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.35
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide

N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide (PubChem CID 43319342) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
PubChem CID43319342
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CCCN)C2CCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-11-14(2)17(15(3)12-13)18(21)20(10-6-9-19)16-7-4-5-8-16/h11-12,16H,4-10,19H2,1-3H3
InChIKeyGTVGAKDBILJCIX-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
CID 63391701
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102873978
N-(3-aminopropyl)-N-cyclopentyl-3-methylpyridine-2-carboxamide
CID 62338909
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
CID 106752285
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide (CID 43319342) is N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)N(CCCN)C2CCCC2)c(C)c1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide?
The InChIKey is GTVGAKDBILJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-11-14(2)17(15(3)12-13)18(21)20(10-6-9-19)16-7-4-5-8-16/h11-12,16H,4-10,19H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide?
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide is sourced from PubChem (CID 43319342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).