2-(2-butoxyphenyl)benzamide

C17H19NO2 — CID 174985404

IUPAC2-(2-butoxyphenyl)benzamide
SMILESCCCCOc1ccccc1-c1ccccc1C(N)=O
InChIInChI=1S/C17H19NO2/c1-2-3-12-20-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3,(H2,18,19)
InChIKeyDORUITZRJKAHRP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.63
Rot. Bonds6

About 2-(2-butoxyphenyl)benzamide

2-(2-butoxyphenyl)benzamide (PubChem CID 174985404) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(2-butoxyphenyl)benzamide
PubChem CID174985404
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2-butoxyphenyl)benzamide
SMILESCCCCOc1ccccc1-c1ccccc1C(N)=O
InChIInChI=1S/C17H19NO2/c1-2-3-12-20-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3,(H2,18,19)
InChIKeyDORUITZRJKAHRP-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.63
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-(2-heptoxyphenyl)benzoic acid
CID 70433575
2-(2-decoxyphenyl)benzoyl chloride
CID 88506217
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
butyl 2-octoxybenzoate
CID 50943104
butyl 2-nonoxybenzoate
CID 151830441
hexyl 2-butoxybenzoate
CID 70562326
2-(2-pentylphenyl)benzamide
CID 174986965
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981
2-ethyl-3-pentoxybenzamide
CID 67228177
4-(2-nonoxyphenyl)benzamide
CID 67822371
2-butoxybenzoic acid;carbonic acid
CID 137455653
dodecyl 2-dodecoxybenzoate
CID 57240468

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)benzamide?
The IUPAC name of 2-(2-butoxyphenyl)benzamide (CID 174985404) is 2-(2-butoxyphenyl)benzamide.
What is the SMILES notation for 2-(2-butoxyphenyl)benzamide?
The canonical SMILES for 2-(2-butoxyphenyl)benzamide is CCCCOc1ccccc1-c1ccccc1C(N)=O.
What is the InChIKey of 2-(2-butoxyphenyl)benzamide?
The InChIKey is DORUITZRJKAHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-12-20-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3,(H2,18,19).
What are the key properties of 2-(2-butoxyphenyl)benzamide?
2-(2-butoxyphenyl)benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)benzamide is sourced from PubChem (CID 174985404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).