2-butoxy-N-prop-2-enylbenzamide

C14H19NO2 — CID 4941031

IUPAC2-butoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1OCCCC
InChIInChI=1S/C14H19NO2/c1-3-5-11-17-13-9-7-6-8-12(13)14(16)15-10-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H,15,16)
InChIKeyZURRLJVBCWFPJB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds7

About 2-butoxy-N-prop-2-enylbenzamide

2-butoxy-N-prop-2-enylbenzamide (PubChem CID 4941031) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-butoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-butoxy-N-prop-2-enylbenzamide
PubChem CID4941031
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-butoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1OCCCC
InChIInChI=1S/C14H19NO2/c1-3-5-11-17-13-9-7-6-8-12(13)14(16)15-10-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H,15,16)
InChIKeyZURRLJVBCWFPJB-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-didodecoxy-1-N,4-N-bis(prop-2-enyl)benzene-1,4-dicarboxamide
CID 3780993
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-propoxy-N-propylbenzamide
CID 58831728
2-pentoxybenzohydrazide
CID 54793215
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
2-[(2-ethoxybenzoyl)carbamothioylamino]-N-prop-2-enylbenzamide
CID 4926903

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-prop-2-enylbenzamide?
The IUPAC name of 2-butoxy-N-prop-2-enylbenzamide (CID 4941031) is 2-butoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-butoxy-N-prop-2-enylbenzamide?
The canonical SMILES for 2-butoxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1OCCCC.
What is the InChIKey of 2-butoxy-N-prop-2-enylbenzamide?
The InChIKey is ZURRLJVBCWFPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-11-17-13-9-7-6-8-12(13)14(16)15-10-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H,15,16).
What are the key properties of 2-butoxy-N-prop-2-enylbenzamide?
2-butoxy-N-prop-2-enylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 4941031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).