4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride

C18H30Cl2N4O2 — CID 119881589

IUPAC4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
SMILESCN(C)CCNC(=O)c1ccc(CNC(=O)C2(N)CCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-22(2)12-11-20-16(23)15-7-5-14(6-8-15)13-21-17(24)18(19)9-3-4-10-18;;/h5-8H,3-4,9-13,19H2,1-2H3,(H,20,23)(H,21,24);2*1H
InChIKeyJFFPLKVREIJQAP-UHFFFAOYSA-N
MW405.37 g/mol
LogP1.71
Rot. Bonds7

About 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride

4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 119881589) has the molecular formula C18H30Cl2N4O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
PubChem CID119881589
Molecular FormulaC18H30Cl2N4O2
Molecular Weight405.37 g/mol
Exact Mass404.17
IUPAC Name4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
SMILESCN(C)CCNC(=O)c1ccc(CNC(=O)C2(N)CCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-22(2)12-11-20-16(23)15-7-5-14(6-8-15)13-21-17(24)18(19)9-3-4-10-18;;/h5-8H,3-4,9-13,19H2,1-2H3,(H,20,23)(H,21,24);2*1H
InChIKeyJFFPLKVREIJQAP-UHFFFAOYSA-N
XLogP1.71
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
CID 119295324
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CID 120941429
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
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N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
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1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171925
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119742072
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride (CID 119881589) is 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride is CN(C)CCNC(=O)c1ccc(CNC(=O)C2(N)CCCC2)cc1.Cl.Cl.
What is the InChIKey of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is JFFPLKVREIJQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.2ClH/c1-22(2)12-11-20-16(23)15-7-5-14(6-8-15)13-21-17(24)18(19)9-3-4-10-18;;/h5-8H,3-4,9-13,19H2,1-2H3,(H,20,23)(H,21,24);2*1H.
What are the key properties of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119881589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).