3-amino-N,N-dibutyl-5-ethoxybenzamide

C17H28N2O2 — CID 81095116

IUPAC3-amino-N,N-dibutyl-5-ethoxybenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(N)cc(OCC)c1
InChIInChI=1S/C17H28N2O2/c1-4-7-9-19(10-8-5-2)17(20)14-11-15(18)13-16(12-14)21-6-3/h11-13H,4-10,18H2,1-3H3
InChIKeyVLHCDWQKWBIXEL-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.71
Rot. Bonds9

About 3-amino-N,N-dibutyl-5-ethoxybenzamide

3-amino-N,N-dibutyl-5-ethoxybenzamide (PubChem CID 81095116) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-N,N-dibutyl-5-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N,N-dibutyl-5-ethoxybenzamide
PubChem CID81095116
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-N,N-dibutyl-5-ethoxybenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(N)cc(OCC)c1
InChIInChI=1S/C17H28N2O2/c1-4-7-9-19(10-8-5-2)17(20)14-11-15(18)13-16(12-14)21-6-3/h11-13H,4-10,18H2,1-3H3
InChIKeyVLHCDWQKWBIXEL-UHFFFAOYSA-N
XLogP3.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.71
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

N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate
CID 114526455
3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81089871
3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913786
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dibutyl-5-ethoxybenzamide?
The IUPAC name of 3-amino-N,N-dibutyl-5-ethoxybenzamide (CID 81095116) is 3-amino-N,N-dibutyl-5-ethoxybenzamide.
What is the SMILES notation for 3-amino-N,N-dibutyl-5-ethoxybenzamide?
The canonical SMILES for 3-amino-N,N-dibutyl-5-ethoxybenzamide is CCCCN(CCCC)C(=O)c1cc(N)cc(OCC)c1.
What is the InChIKey of 3-amino-N,N-dibutyl-5-ethoxybenzamide?
The InChIKey is VLHCDWQKWBIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-7-9-19(10-8-5-2)17(20)14-11-15(18)13-16(12-14)21-6-3/h11-13H,4-10,18H2,1-3H3.
What are the key properties of 3-amino-N,N-dibutyl-5-ethoxybenzamide?
3-amino-N,N-dibutyl-5-ethoxybenzamide has a molecular weight of 292.42 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dibutyl-5-ethoxybenzamide is sourced from PubChem (CID 81095116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).