4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride

C12H18ClN3O2 — CID 119731255

IUPAC4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
SMILESCN(C)C(=O)CCNC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-15(2)11(16)7-8-14-12(17)9-3-5-10(13)6-4-9;/h3-6H,7-8,13H2,1-2H3,(H,14,17);1H
InChIKeyPXNNWMUGKGHJGP-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride

4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride (PubChem CID 119731255) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
PubChem CID119731255
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
SMILESCN(C)C(=O)CCNC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-15(2)11(16)7-8-14-12(17)9-3-5-10(13)6-4-9;/h3-6H,7-8,13H2,1-2H3,(H,14,17);1H
InChIKeyPXNNWMUGKGHJGP-UHFFFAOYSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
N-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydroxybenzamide
CID 103955611
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
CID 61103897
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
N-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55959369
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614869
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574417
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride (CID 119731255) is 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride is CN(C)C(=O)CCNC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride?
The InChIKey is PXNNWMUGKGHJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-15(2)11(16)7-8-14-12(17)9-3-5-10(13)6-4-9;/h3-6H,7-8,13H2,1-2H3,(H,14,17);1H.
What are the key properties of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride?
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride is sourced from PubChem (CID 119731255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).