4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

C17H28Cl2N4O2 — CID 119827819

IUPAC4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2(N)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-3-21(4-2)12-11-19-15(22)13-5-7-14(8-6-13)20-16(23)17(18)9-10-17;;/h5-8H,3-4,9-12,18H2,1-2H3,(H,19,22)(H,20,23);2*1H
InChIKeyGVOKIPZAXMEYQO-UHFFFAOYSA-N
MW391.34 g/mol
LogP2.03
Rot. Bonds8

About 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 119827819) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
PubChem CID119827819
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2(N)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-3-21(4-2)12-11-19-15(22)13-5-7-14(8-6-13)20-16(23)17(18)9-10-17;;/h5-8H,3-4,9-12,18H2,1-2H3,(H,19,22)(H,20,23);2*1H
InChIKeyGVOKIPZAXMEYQO-UHFFFAOYSA-N
XLogP2.03
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione
CID 174911748
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281
3-amino-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119827836

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (CID 119827819) is 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc(NC(=O)C2(N)CC2)cc1.Cl.Cl.
What is the InChIKey of 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is GVOKIPZAXMEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c1-3-21(4-2)12-11-19-15(22)13-5-7-14(8-6-13)20-16(23)17(18)9-10-17;;/h5-8H,3-4,9-12,18H2,1-2H3,(H,19,22)(H,20,23);2*1H.
What are the key properties of 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119827819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).