3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide

C16H27N3O — CID 83000269

IUPAC3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N(C)C(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C16H27N3O/c1-7-18-15(20)12-8-9-14(13(17)10-12)19(6)11(2)16(3,4)5/h8-11H,7,17H2,1-6H3,(H,18,20)
InChIKeyZYZIUKHUYXBCKJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide

3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide (PubChem CID 83000269) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
PubChem CID83000269
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N(C)C(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C16H27N3O/c1-7-18-15(20)12-8-9-14(13(17)10-12)19(6)11(2)16(3,4)5/h8-11H,7,17H2,1-6H3,(H,18,20)
InChIKeyZYZIUKHUYXBCKJ-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.89
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-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
methyl 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]benzoate
CID 55009573
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998
3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
CID 82999560
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148
ethyl 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzoate
CID 82785674
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 63356484
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide (CID 83000269) is 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(N(C)C(C)C(C)(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide?
The InChIKey is ZYZIUKHUYXBCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-7-18-15(20)12-8-9-14(13(17)10-12)19(6)11(2)16(3,4)5/h8-11H,7,17H2,1-6H3,(H,18,20).
What are the key properties of 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide?
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 83000269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).