3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride

C15H24ClN3O2 — CID 119495246

IUPAC3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-8-17-14(19)12-5-4-6-13(10-12)15(20)18-9-7-11(2)16;/h4-6,10-11H,3,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyYGTABXWIQCCORC-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.72
Rot. Bonds7

About 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride

3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119495246) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
PubChem CID119495246
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-8-17-14(19)12-5-4-6-13(10-12)15(20)18-9-7-11(2)16;/h4-6,10-11H,3,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyYGTABXWIQCCORC-UHFFFAOYSA-N
XLogP1.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride (CID 119495246) is 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride is CCCNC(=O)c1cccc(C(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is YGTABXWIQCCORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-3-8-17-14(19)12-5-4-6-13(10-12)15(20)18-9-7-11(2)16;/h4-6,10-11H,3,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride?
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119495246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).