N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride

C15H26ClN3O — CID 120703880

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCN(CC)Cc1cccc(CNC(=O)CNC)c1.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-4-18(5-2)12-14-8-6-7-13(9-14)10-17-15(19)11-16-3;/h6-9,16H,4-5,10-12H2,1-3H3,(H,17,19);1H
InChIKeyAYEJWXYAVURJAS-UHFFFAOYSA-N
MW299.85 g/mol
LogP1.79
Rot. Bonds8

About N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride

N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120703880) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120703880
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCN(CC)Cc1cccc(CNC(=O)CNC)c1.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-4-18(5-2)12-14-8-6-7-13(9-14)10-17-15(19)11-16-3;/h6-9,16H,4-5,10-12H2,1-3H3,(H,17,19);1H
InChIKeyAYEJWXYAVURJAS-UHFFFAOYSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;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

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
CID 55768894
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride
CID 120704236
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545187
tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
CID 174196710
N-[[3-(diethylaminomethyl)phenyl]methyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 55855300
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride (CID 120703880) is N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride is CCN(CC)Cc1cccc(CNC(=O)CNC)c1.Cl.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is AYEJWXYAVURJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c1-4-18(5-2)12-14-8-6-7-13(9-14)10-17-15(19)11-16-3;/h6-9,16H,4-5,10-12H2,1-3H3,(H,17,19);1H.
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120703880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).