4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride

C14H22ClN3O2 — CID 120830510

IUPAC4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(CNC(C)=O)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-10(15-3)8-17-14(19)13-6-4-12(5-7-13)9-16-11(2)18;/h4-7,10,15H,8-9H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyRKPOBPNTTGTONE-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.08
Rot. Bonds6

About 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride

4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120830510) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120830510
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(CNC(C)=O)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-10(15-3)8-17-14(19)13-6-4-12(5-7-13)9-16-11(2)18;/h4-7,10,15H,8-9H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyRKPOBPNTTGTONE-UHFFFAOYSA-N
XLogP1.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120830963
4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide
CID 97213094
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
CID 120828537
5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120832947
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120830510) is 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(CNC(C)=O)cc1.Cl.
What is the InChIKey of 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is RKPOBPNTTGTONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-10(15-3)8-17-14(19)13-6-4-12(5-7-13)9-16-11(2)18;/h4-7,10,15H,8-9H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120830510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).