N-(2-ethylbutyl)-2-prop-2-enoxybenzamide

C16H23NO2 — CID 115612991

IUPACN-(2-ethylbutyl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC(CC)CC
InChIInChI=1S/C16H23NO2/c1-4-11-19-15-10-8-7-9-14(15)16(18)17-12-13(5-2)6-3/h4,7-10,13H,1,5-6,11-12H2,2-3H3,(H,17,18)
InChIKeyDASFKVMVBWQQCB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds8

About N-(2-ethylbutyl)-2-prop-2-enoxybenzamide

N-(2-ethylbutyl)-2-prop-2-enoxybenzamide (PubChem CID 115612991) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-prop-2-enoxybenzamide
PubChem CID115612991
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2-ethylbutyl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC(CC)CC
InChIInChI=1S/C16H23NO2/c1-4-11-19-15-10-8-7-9-14(15)16(18)17-12-13(5-2)6-3/h4,7-10,13H,1,5-6,11-12H2,2-3H3,(H,17,18)
InChIKeyDASFKVMVBWQQCB-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
CID 103725734
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
CID 114306598
N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
CID 115767251
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
CID 113278524
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
CID 115700247
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813289

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-prop-2-enoxybenzamide?
The IUPAC name of N-(2-ethylbutyl)-2-prop-2-enoxybenzamide (CID 115612991) is N-(2-ethylbutyl)-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-prop-2-enoxybenzamide?
The canonical SMILES for N-(2-ethylbutyl)-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NCC(CC)CC.
What is the InChIKey of N-(2-ethylbutyl)-2-prop-2-enoxybenzamide?
The InChIKey is DASFKVMVBWQQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-11-19-15-10-8-7-9-14(15)16(18)17-12-13(5-2)6-3/h4,7-10,13H,1,5-6,11-12H2,2-3H3,(H,17,18).
What are the key properties of N-(2-ethylbutyl)-2-prop-2-enoxybenzamide?
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-prop-2-enoxybenzamide is sourced from PubChem (CID 115612991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).