3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide

C15H25N3O2 — CID 82999998

IUPAC3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(CC)CC(C)(C)O)c(N)c1
InChIInChI=1S/C15H25N3O2/c1-5-17-14(19)11-7-8-13(12(16)9-11)18(6-2)10-15(3,4)20/h7-9,20H,5-6,10,16H2,1-4H3,(H,17,19)
InChIKeyKPLLRKONVUKPRZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.62
Rot. Bonds6

About 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide

3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide (PubChem CID 82999998) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
PubChem CID82999998
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(CC)CC(C)(C)O)c(N)c1
InChIInChI=1S/C15H25N3O2/c1-5-17-14(19)11-7-8-13(12(16)9-11)18(6-2)10-15(3,4)20/h7-9,20H,5-6,10,16H2,1-4H3,(H,17,19)
InChIKeyKPLLRKONVUKPRZ-UHFFFAOYSA-N
XLogP1.62
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.62
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-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79381958
3-amino-4-[2-cyanoethyl(2-methylpropyl)amino]-N-ethylbenzamide
CID 82989899
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
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-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide (CID 82999998) is 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide is CCNC(=O)c1ccc(N(CC)CC(C)(C)O)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
The InChIKey is KPLLRKONVUKPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-17-14(19)11-7-8-13(12(16)9-11)18(6-2)10-15(3,4)20/h7-9,20H,5-6,10,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide has a molecular weight of 279.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide is sourced from PubChem (CID 82999998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).