N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide

C19H24N2OS — CID 120648399

IUPACN-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2OS/c1-15-9-10-17(23-2)13-18(15)19(22)21(12-6-11-20)14-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14,20H2,1-2H3
InChIKeyDPNOEEJCTOUQBJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.71
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide

N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide (PubChem CID 120648399) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
PubChem CID120648399
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2OS/c1-15-9-10-17(23-2)13-18(15)19(22)21(12-6-11-20)14-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14,20H2,1-2H3
InChIKeyDPNOEEJCTOUQBJ-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
CID 120649558
N-(3-aminopropyl)-N-benzyl-2-methyl-4-nitrobenzamide;hydrochloride
CID 120649298
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
CID 120886368
N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120649497
5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
CID 120626022
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886367
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide (CID 120648399) is N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)N(CCCN)Cc2ccccc2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is DPNOEEJCTOUQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-9-10-17(23-2)13-18(15)19(22)21(12-6-11-20)14-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14,20H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide?
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 328.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 120648399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).