N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride

C15H26Cl2N4O2 — CID 120603824

IUPACN-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
SMILESCC(C)N(C)CC(=O)Nc1ccccc1C(=O)NCCN.Cl.Cl
InChIInChI=1S/C15H24N4O2.2ClH/c1-11(2)19(3)10-14(20)18-13-7-5-4-6-12(13)15(21)17-9-8-16;;/h4-7,11H,8-10,16H2,1-3H3,(H,17,21)(H,18,20);2*1H
InChIKeyYQCVZTNYZBCCBS-UHFFFAOYSA-N
MW365.31 g/mol
LogP1.50
Rot. Bonds7

About N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride

N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride (PubChem CID 120603824) has the molecular formula C15H26Cl2N4O2 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
PubChem CID120603824
Molecular FormulaC15H26Cl2N4O2
Molecular Weight365.31 g/mol
Exact Mass364.14
IUPAC NameN-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
SMILESCC(C)N(C)CC(=O)Nc1ccccc1C(=O)NCCN.Cl.Cl
InChIInChI=1S/C15H24N4O2.2ClH/c1-11(2)19(3)10-14(20)18-13-7-5-4-6-12(13)15(21)17-9-8-16;;/h4-7,11H,8-10,16H2,1-3H3,(H,17,21)(H,18,20);2*1H
InChIKeyYQCVZTNYZBCCBS-UHFFFAOYSA-N
XLogP1.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107000060
N-(2-aminoethyl)-2-[3-(2-methylpropylsulfonyl)propanoylamino]benzamide;hydrochloride
CID 120603370
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
CID 45370530
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120604324
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
CID 120604204

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride (CID 120603824) is N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride is CC(C)N(C)CC(=O)Nc1ccccc1C(=O)NCCN.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride?
The InChIKey is YQCVZTNYZBCCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.2ClH/c1-11(2)19(3)10-14(20)18-13-7-5-4-6-12(13)15(21)17-9-8-16;;/h4-7,11H,8-10,16H2,1-3H3,(H,17,21)(H,18,20);2*1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride?
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride has a molecular weight of 365.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride is sourced from PubChem (CID 120603824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).