3-amino-N-butyl-2-ethoxy-N-methylbenzamide

C14H22N2O2 — CID 113386345

IUPAC3-amino-N-butyl-2-ethoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(N)c1OCC
InChIInChI=1S/C14H22N2O2/c1-4-6-10-16(3)14(17)11-8-7-9-12(15)13(11)18-5-2/h7-9H,4-6,10,15H2,1-3H3
InChIKeyOTOGXMJSOMIYLL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds6

About 3-amino-N-butyl-2-ethoxy-N-methylbenzamide

3-amino-N-butyl-2-ethoxy-N-methylbenzamide (PubChem CID 113386345) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-butyl-2-ethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-butyl-2-ethoxy-N-methylbenzamide
PubChem CID113386345
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-butyl-2-ethoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(N)c1OCC
InChIInChI=1S/C14H22N2O2/c1-4-6-10-16(3)14(17)11-8-7-9-12(15)13(11)18-5-2/h7-9H,4-6,10,15H2,1-3H3
InChIKeyOTOGXMJSOMIYLL-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide
CID 102990804
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-pentoxybenzoic acid
CID 112579762
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
3-amino-2-nonoxybenzamide
CID 107873437
(1-amino-1-oxopropan-2-yl) 3-amino-2-ethoxybenzoate
CID 113386665
3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913762
2-(diethylamino)ethyl 3-amino-2-butoxybenzoate
CID 19247
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
N-butyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 52561835
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-2-ethoxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-butyl-2-ethoxy-N-methylbenzamide (CID 113386345) is 3-amino-N-butyl-2-ethoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-butyl-2-ethoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-butyl-2-ethoxy-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(N)c1OCC.
What is the InChIKey of 3-amino-N-butyl-2-ethoxy-N-methylbenzamide?
The InChIKey is OTOGXMJSOMIYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-6-10-16(3)14(17)11-8-7-9-12(15)13(11)18-5-2/h7-9H,4-6,10,15H2,1-3H3.
What are the key properties of 3-amino-N-butyl-2-ethoxy-N-methylbenzamide?
3-amino-N-butyl-2-ethoxy-N-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-2-ethoxy-N-methylbenzamide is sourced from PubChem (CID 113386345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).