3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide

C12H19N3O — CID 82165922

IUPAC3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN(C)C)c(N)c1
InChIInChI=1S/C12H19N3O/c1-4-14-12(16)9-5-6-10(8-15(2)3)11(13)7-9/h5-7H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyMZCMUXFVJUBGCX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide

3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide (PubChem CID 82165922) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
PubChem CID82165922
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN(C)C)c(N)c1
InChIInChI=1S/C12H19N3O/c1-4-14-12(16)9-5-6-10(8-15(2)3)11(13)7-9/h5-7H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyMZCMUXFVJUBGCX-UHFFFAOYSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(dimethylamino)methyl]benzoic acid
CID 23009719
3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
CID 82167848
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide
CID 82167891
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide (CID 82165922) is 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide?
The InChIKey is MZCMUXFVJUBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-14-12(16)9-5-6-10(8-15(2)3)11(13)7-9/h5-7H,4,8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide?
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide is sourced from PubChem (CID 82165922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).