N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride

C16H26ClN3O2 — CID 119421936

IUPACN-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-3-11-19(12-4-2)16(21)10-9-15(20)18-14-8-6-5-7-13(14)17;/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20);1H
InChIKeyOBVHZOVSXPYLPS-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.06
Rot. Bonds8

About N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride

N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride (PubChem CID 119421936) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
PubChem CID119421936
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-3-11-19(12-4-2)16(21)10-9-15(20)18-14-8-6-5-7-13(14)17;/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20);1H
InChIKeyOBVHZOVSXPYLPS-UHFFFAOYSA-N
XLogP3.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119422754
N-(6-amino-3-pyridinyl)-N',N'-dipropylbutanediamide
CID 119515057
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride (CID 119421936) is N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride is CCCN(CCC)C(=O)CCC(=O)Nc1ccccc1N.Cl.
What is the InChIKey of N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride?
The InChIKey is OBVHZOVSXPYLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-3-11-19(12-4-2)16(21)10-9-15(20)18-14-8-6-5-7-13(14)17;/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride?
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride is sourced from PubChem (CID 119421936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).