3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride

C16H26ClN3O2 — CID 120563368

IUPAC3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCC(N)CCC(=O)NCCc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12(17)7-8-15(20)18-10-9-13-5-4-6-14(11-13)16(21)19(2)3;/h4-6,11-12H,7-10,17H2,1-3H3,(H,18,20);1H
InChIKeyMZVONBLBMNFARH-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.60
Rot. Bonds7

About 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride

3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120563368) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID120563368
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCC(N)CCC(=O)NCCc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12(17)7-8-15(20)18-10-9-13-5-4-6-14(11-13)16(21)19(2)3;/h4-6,11-12H,7-10,17H2,1-3H3,(H,18,20);1H
InChIKeyMZVONBLBMNFARH-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802952
methyl 3-[2-(3-aminobutanoylamino)ethyl]benzoate;hydrochloride
CID 120873897
3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 120565109
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
N,N-dimethyl-3-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111669109
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N,N-dimethyl-3-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]benzamide
CID 111771916
N,N-dimethyl-3-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]benzamide
CID 111668026
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
CID 120562805

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride (CID 120563368) is 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride is CC(N)CCC(=O)NCCc1cccc(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is MZVONBLBMNFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-12(17)7-8-15(20)18-10-9-13-5-4-6-14(11-13)16(21)19(2)3;/h4-6,11-12H,7-10,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120563368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).