N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride

C17H31Cl2N3O — CID 120569210

IUPACN-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)Nc1cc(N)ccc1C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-13-15(18)9-8-14(16)3;;/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyKZJNIGSEWBLXPX-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.26
Rot. Bonds9

About N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride

N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride (PubChem CID 120569210) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
PubChem CID120569210
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC NameN-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)Nc1cc(N)ccc1C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-13-15(18)9-8-14(16)3;;/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyKZJNIGSEWBLXPX-UHFFFAOYSA-N
XLogP4.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.26
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-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride (CID 120569210) is N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride is CCCN(CCC)CCCC(=O)Nc1cc(N)ccc1C.Cl.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride?
The InChIKey is KZJNIGSEWBLXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-13-15(18)9-8-14(16)3;;/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride?
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride is sourced from PubChem (CID 120569210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).