N-(3-butoxypropyl)-2-ethoxybenzamide

C16H25NO3 — CID 2290248

IUPACN-(3-butoxypropyl)-2-ethoxybenzamide
SMILESCCCCOCCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C16H25NO3/c1-3-5-12-19-13-8-11-17-16(18)14-9-6-7-10-15(14)20-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,17,18)
InChIKeyBMZZPOOCGUBFHW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.02
Rot. Bonds10

About N-(3-butoxypropyl)-2-ethoxybenzamide

N-(3-butoxypropyl)-2-ethoxybenzamide (PubChem CID 2290248) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-ethoxybenzamide
PubChem CID2290248
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-butoxypropyl)-2-ethoxybenzamide
SMILESCCCCOCCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C16H25NO3/c1-3-5-12-19-13-8-11-17-16(18)14-9-6-7-10-15(14)20-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,17,18)
InChIKeyBMZZPOOCGUBFHW-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxybenzamide
CID 3282
Flecainide
CID 3356
Exalamide
CID 3316
Mersalyl Acid
CID 12358988
2-Methoxybenzamide
CID 75540
Chlorthenoxazine
CID 8602
Mersalyl
CID 9806195
Alloclamide
CID 71837
Pxs-4728A
CID 71812246
(2-Ethoxy-benzoylamino)-acetic acid
CID 748023
RO 116 1148
CID 44391713
R-(-)-Flecainide
CID 6603850

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-ethoxybenzamide?
The IUPAC name of N-(3-butoxypropyl)-2-ethoxybenzamide (CID 2290248) is N-(3-butoxypropyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-ethoxybenzamide?
The canonical SMILES for N-(3-butoxypropyl)-2-ethoxybenzamide is CCCCOCCCNC(=O)c1ccccc1OCC.
What is the InChIKey of N-(3-butoxypropyl)-2-ethoxybenzamide?
The InChIKey is BMZZPOOCGUBFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-5-12-19-13-8-11-17-16(18)14-9-6-7-10-15(14)20-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,17,18).
What are the key properties of N-(3-butoxypropyl)-2-ethoxybenzamide?
N-(3-butoxypropyl)-2-ethoxybenzamide has a molecular weight of 279.38 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-ethoxybenzamide is sourced from PubChem (CID 2290248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).