2-amino-N,N-dipropylbenzamide;hydrochloride

C13H21ClN2O — CID 119943594

IUPAC2-amino-N,N-dipropylbenzamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1ccccc1N.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14;/h5-8H,3-4,9-10,14H2,1-2H3;1H
InChIKeyGUAVRZPTVOOQEA-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.95
Rot. Bonds5

About 2-amino-N,N-dipropylbenzamide;hydrochloride

2-amino-N,N-dipropylbenzamide;hydrochloride (PubChem CID 119943594) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-amino-N,N-dipropylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,N-dipropylbenzamide;hydrochloride
PubChem CID119943594
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-amino-N,N-dipropylbenzamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1ccccc1N.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14;/h5-8H,3-4,9-10,14H2,1-2H3;1H
InChIKeyGUAVRZPTVOOQEA-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
CID 43459852
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
2-(dipropylcarbamoyl)benzeneseleninic acid
CID 101473440
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dipropylbenzamide;hydrochloride?
The IUPAC name of 2-amino-N,N-dipropylbenzamide;hydrochloride (CID 119943594) is 2-amino-N,N-dipropylbenzamide;hydrochloride.
What is the SMILES notation for 2-amino-N,N-dipropylbenzamide;hydrochloride?
The canonical SMILES for 2-amino-N,N-dipropylbenzamide;hydrochloride is CCCN(CCC)C(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N,N-dipropylbenzamide;hydrochloride?
The InChIKey is GUAVRZPTVOOQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14;/h5-8H,3-4,9-10,14H2,1-2H3;1H.
What are the key properties of 2-amino-N,N-dipropylbenzamide;hydrochloride?
2-amino-N,N-dipropylbenzamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dipropylbenzamide;hydrochloride is sourced from PubChem (CID 119943594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).