3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide

C15H24N2O2 — CID 103459929

IUPAC3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)NCC(C)(C)CC
InChIInChI=1S/C15H24N2O2/c1-5-15(3,4)10-17-14(18)11-8-7-9-12(16)13(11)19-6-2/h7-9H,5-6,10,16H2,1-4H3,(H,17,18)
InChIKeyOKEFQALQQIVTDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.83
Rot. Bonds6

About 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide

3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide (PubChem CID 103459929) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
PubChem CID103459929
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)NCC(C)(C)CC
InChIInChI=1S/C15H24N2O2/c1-5-15(3,4)10-17-14(18)11-8-7-9-12(16)13(11)19-6-2/h7-9H,5-6,10,16H2,1-4H3,(H,17,18)
InChIKeyOKEFQALQQIVTDE-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.83
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-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide?
The IUPAC name of 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide (CID 103459929) is 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide is CCOc1c(N)cccc1C(=O)NCC(C)(C)CC.
What is the InChIKey of 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide?
The InChIKey is OKEFQALQQIVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-15(3,4)10-17-14(18)11-8-7-9-12(16)13(11)19-6-2/h7-9H,5-6,10,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide?
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide is sourced from PubChem (CID 103459929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).