3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride

C18H30ClN3O2 — CID 119802950

IUPAC3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(CCNC(=O)CCCCCCN)c1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-21(2)18(23)16-9-7-8-15(14-16)11-13-20-17(22)10-5-3-4-6-12-19;/h7-9,14H,3-6,10-13,19H2,1-2H3,(H,20,22);1H
InChIKeyDZGLMBNXOLUSJC-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.38
Rot. Bonds10

About 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride

3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119802950) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID119802950
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(CCNC(=O)CCCCCCN)c1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-21(2)18(23)16-9-7-8-15(14-16)11-13-20-17(22)10-5-3-4-6-12-19;/h7-9,14H,3-6,10-13,19H2,1-2H3,(H,20,22);1H
InChIKeyDZGLMBNXOLUSJC-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802952
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
CID 119788188
3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
CID 119802987
methyl 7-[[N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-N'-methylcarbamimidoyl]amino]heptanoate;hydroiodide
CID 111669553
methyl 6-[[N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111669675
3-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 75407728
5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride
CID 120635957
3-[2-[[N-ethyl-N'-[3-oxo-3-(propylamino)propyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669799

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride (CID 119802950) is 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1cccc(CCNC(=O)CCCCCCN)c1.Cl.
What is the InChIKey of 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is DZGLMBNXOLUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-21(2)18(23)16-9-7-8-15(14-16)11-13-20-17(22)10-5-3-4-6-12-19;/h7-9,14H,3-6,10-13,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride?
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119802950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).