3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride

C17H30Cl2N4O2 — CID 120565109

IUPAC3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C17H28N4O2.2ClH/c1-13(18)7-8-16(22)20-12-14-5-4-6-15(11-14)17(23)19-9-10-21(2)3;;/h4-6,11,13H,7-10,12,18H2,1-3H3,(H,19,23)(H,20,22);2*1H
InChIKeyOMPSMCVHVXHTMW-UHFFFAOYSA-N
MW393.36 g/mol
LogP1.57
Rot. Bonds9

About 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride

3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 120565109) has the molecular formula C17H30Cl2N4O2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
PubChem CID120565109
Molecular FormulaC17H30Cl2N4O2
Molecular Weight393.36 g/mol
Exact Mass392.17
IUPAC Name3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C17H28N4O2.2ClH/c1-13(18)7-8-16(22)20-12-14-5-4-6-15(11-14)17(23)19-9-10-21(2)3;;/h4-6,11,13H,7-10,12,18H2,1-3H3,(H,19,23)(H,20,22);2*1H
InChIKeyOMPSMCVHVXHTMW-UHFFFAOYSA-N
XLogP1.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
N-[2-(dimethylamino)ethyl]-3-[[(N'-methylcarbamimidoyl)amino]methyl]benzamide
CID 110935106
N-[2-(dimethylamino)ethyl]-3-[[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]methyl]benzamide
CID 110977683
N-[2-(dimethylamino)ethyl]-3-[[(3-propan-2-yloxyphenyl)methylcarbamoylamino]methyl]benzamide
CID 86884508
3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120561368
N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041522
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
N-[2-(dimethylamino)ethyl]-3-[[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111248076
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride (CID 120565109) is 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride is CC(N)CCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1.Cl.Cl.
What is the InChIKey of 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is OMPSMCVHVXHTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.2ClH/c1-13(18)7-8-16(22)20-12-14-5-4-6-15(11-14)17(23)19-9-10-21(2)3;;/h4-6,11,13H,7-10,12,18H2,1-3H3,(H,19,23)(H,20,22);2*1H.
What are the key properties of 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 393.36 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 120565109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).