2-ethyl-3-pentoxybenzamide

C14H21NO2 — CID 67228177

IUPAC2-ethyl-3-pentoxybenzamide
SMILESCCCCCOc1cccc(C(N)=O)c1CC
InChIInChI=1S/C14H21NO2/c1-3-5-6-10-17-13-9-7-8-12(14(15)16)11(13)4-2/h7-9H,3-6,10H2,1-2H3,(H2,15,16)
InChIKeyOLFZWDNRYVCFDA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.92
Rot. Bonds7

About 2-ethyl-3-pentoxybenzamide

2-ethyl-3-pentoxybenzamide (PubChem CID 67228177) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-3-pentoxybenzamide.

Molecular Properties

Compound Name2-ethyl-3-pentoxybenzamide
PubChem CID67228177
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-3-pentoxybenzamide
SMILESCCCCCOc1cccc(C(N)=O)c1CC
InChIInChI=1S/C14H21NO2/c1-3-5-6-10-17-13-9-7-8-12(14(15)16)11(13)4-2/h7-9H,3-6,10H2,1-2H3,(H2,15,16)
InChIKeyOLFZWDNRYVCFDA-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-carbamoyl-2-pentylphenoxy)acetic acid
CID 174675490
3-amino-2-nonoxybenzamide
CID 107873437
2-ethyl-3-hexoxyphenol
CID 118561746
2-(2-butoxyphenyl)benzamide
CID 174985404
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
2-nonoxybenzenecarbothioamide
CID 43129448
2-hexoxybenzenecarbothioamide
CID 22684505
2-amino-3-octoxybenzoic acid
CID 113333300
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
2-pentoxybenzohydrazide
CID 54793215

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pentoxybenzamide?
The IUPAC name of 2-ethyl-3-pentoxybenzamide (CID 67228177) is 2-ethyl-3-pentoxybenzamide.
What is the SMILES notation for 2-ethyl-3-pentoxybenzamide?
The canonical SMILES for 2-ethyl-3-pentoxybenzamide is CCCCCOc1cccc(C(N)=O)c1CC.
What is the InChIKey of 2-ethyl-3-pentoxybenzamide?
The InChIKey is OLFZWDNRYVCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-6-10-17-13-9-7-8-12(14(15)16)11(13)4-2/h7-9H,3-6,10H2,1-2H3,(H2,15,16).
What are the key properties of 2-ethyl-3-pentoxybenzamide?
2-ethyl-3-pentoxybenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pentoxybenzamide is sourced from PubChem (CID 67228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).