5-amino-N-butyl-2-ethoxybenzamide

C13H20N2O2 — CID 28689998

IUPAC5-amino-N-butyl-2-ethoxybenzamide
SMILESCCCCNC(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C13H20N2O2/c1-3-5-8-15-13(16)11-9-10(14)6-7-12(11)17-4-2/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyIBBYVQOZFFRLHS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.20
Rot. Bonds6

About 5-amino-N-butyl-2-ethoxybenzamide

5-amino-N-butyl-2-ethoxybenzamide (PubChem CID 28689998) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-N-butyl-2-ethoxybenzamide.

Molecular Properties

Compound Name5-amino-N-butyl-2-ethoxybenzamide
PubChem CID28689998
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-N-butyl-2-ethoxybenzamide
SMILESCCCCNC(=O)c1cc(N)ccc1OCC
InChIInChI=1S/C13H20N2O2/c1-3-5-8-15-13(16)11-9-10(14)6-7-12(11)17-4-2/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyIBBYVQOZFFRLHS-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
CID 120633106
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
CID 84613985
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
2,4-diamino-N-hexylbenzamide
CID 61111728
3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2-ethoxybenzamide?
The IUPAC name of 5-amino-N-butyl-2-ethoxybenzamide (CID 28689998) is 5-amino-N-butyl-2-ethoxybenzamide.
What is the SMILES notation for 5-amino-N-butyl-2-ethoxybenzamide?
The canonical SMILES for 5-amino-N-butyl-2-ethoxybenzamide is CCCCNC(=O)c1cc(N)ccc1OCC.
What is the InChIKey of 5-amino-N-butyl-2-ethoxybenzamide?
The InChIKey is IBBYVQOZFFRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-8-15-13(16)11-9-10(14)6-7-12(11)17-4-2/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-butyl-2-ethoxybenzamide?
5-amino-N-butyl-2-ethoxybenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2-ethoxybenzamide is sourced from PubChem (CID 28689998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).