N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide

C17H26N2O2 — CID 62504725

IUPACN-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C17H26N2O2/c1-13-8-9-16(21-2)15(12-13)17(20)19(11-5-10-18)14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3
InChIKeyWKPCAARXPXYJBI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide

N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide (PubChem CID 62504725) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
PubChem CID62504725
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C17H26N2O2/c1-13-8-9-16(21-2)15(12-13)17(20)19(11-5-10-18)14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3
InChIKeyWKPCAARXPXYJBI-UHFFFAOYSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
CID 102866390
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N-(azetidin-3-yl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 66181476
N-(3-aminopropyl)-N-cyclohexyl-2,6-dimethylpyridine-3-carboxamide
CID 62830761
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
CID 80659303

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide (CID 62504725) is N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)N(CCCN)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide?
The InChIKey is WKPCAARXPXYJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-8-9-16(21-2)15(12-13)17(20)19(11-5-10-18)14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide?
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62504725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).