N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride

C19H27Cl2N3O2 — CID 119419016

IUPACN-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-4-12-22(5-2)16-9-6-14(7-10-16)19(23)21-15-8-11-18(24-3)17(20)13-15;;/h6-11,13H,4-5,12,20H2,1-3H3,(H,21,23);2*1H
InChIKeyKNXWJUPZXFMODV-UHFFFAOYSA-N
MW400.35 g/mol
LogP4.61
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride

N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride (PubChem CID 119419016) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride
PubChem CID119419016
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-4-12-22(5-2)16-9-6-14(7-10-16)19(23)21-15-8-11-18(24-3)17(20)13-15;;/h6-11,13H,4-5,12,20H2,1-3H3,(H,21,23);2*1H
InChIKeyKNXWJUPZXFMODV-UHFFFAOYSA-N
XLogP4.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119419659
1-N-(3-amino-4-methoxyphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119419491
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
CID 70436318
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2665776
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride (CID 119419016) is N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride is CCCN(CC)c1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride?
The InChIKey is KNXWJUPZXFMODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-4-12-22(5-2)16-9-6-14(7-10-16)19(23)21-15-8-11-18(24-3)17(20)13-15;;/h6-11,13H,4-5,12,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride?
N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride is sourced from PubChem (CID 119419016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).