3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide

C16H28N4O — CID 82993299

IUPAC3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(C)(C)CN(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-6-18-15(21)12-7-8-14(13(17)9-12)19-10-16(2,3)11-20(4)5/h7-9,19H,6,10-11,17H2,1-5H3,(H,18,21)
InChIKeyCBJDQJUUGZPDFM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.02
Rot. Bonds7

About 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide

3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide (PubChem CID 82993299) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
PubChem CID82993299
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(C)(C)CN(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-6-18-15(21)12-7-8-14(13(17)9-12)19-10-16(2,3)11-20(4)5/h7-9,19H,6,10-11,17H2,1-5H3,(H,18,21)
InChIKeyCBJDQJUUGZPDFM-UHFFFAOYSA-N
XLogP2.02
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide
CID 82989320
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 61091598
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide
CID 106141662
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
4-bromo-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzene-1,2-diamine
CID 28903102
3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide (CID 82993299) is 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCC(C)(C)CN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide?
The InChIKey is CBJDQJUUGZPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-18-15(21)12-7-8-14(13(17)9-12)19-10-16(2,3)11-20(4)5/h7-9,19H,6,10-11,17H2,1-5H3,(H,18,21).
What are the key properties of 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide?
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide has a molecular weight of 292.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 82993299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).