2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride

C13H20ClN3O2 — CID 119944917

IUPAC2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
SMILESCCCNC(=O)CCNC(=O)c1ccccc1N.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-8-15-12(17)7-9-16-13(18)10-5-3-4-6-11(10)14;/h3-6H,2,7-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyDSMBVVWOCYYYDH-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.34
Rot. Bonds6

About 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride

2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride (PubChem CID 119944917) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
PubChem CID119944917
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
SMILESCCCNC(=O)CCNC(=O)c1ccccc1N.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-8-15-12(17)7-9-16-13(18)10-5-3-4-6-11(10)14;/h3-6H,2,7-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyDSMBVVWOCYYYDH-UHFFFAOYSA-N
XLogP1.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
2-hydroxy-3-methoxy-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 61149422
2-amino-N-[(E)-pent-3-enyl]benzamide
CID 115976398
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide
CID 102351922
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
2-hydrazinyl-N-propylbenzamide
CID 62238054

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride (CID 119944917) is 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride is CCCNC(=O)CCNC(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride?
The InChIKey is DSMBVVWOCYYYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-2-8-15-12(17)7-9-16-13(18)10-5-3-4-6-11(10)14;/h3-6H,2,7-9,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride?
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119944917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).