N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide

C14H19NO3 — CID 113278524

IUPACN-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC(C)CCO
InChIInChI=1S/C14H19NO3/c1-3-10-18-13-7-5-4-6-12(13)14(17)15-11(2)8-9-16/h3-7,11,16H,1,8-10H2,2H3,(H,15,17)
InChIKeyMNWBZZJRIRYTDK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.75
Rot. Bonds7

About N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide

N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide (PubChem CID 113278524) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
PubChem CID113278524
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC(C)CCO
InChIInChI=1S/C14H19NO3/c1-3-10-18-13-7-5-4-6-12(13)14(17)15-11(2)8-9-16/h3-7,11,16H,1,8-10H2,2H3,(H,15,17)
InChIKeyMNWBZZJRIRYTDK-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
CID 115767251
5-[(2-prop-2-enoxybenzoyl)amino]hexanoic acid
CID 82845336
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
CID 103725734
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide
CID 167755068
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide (CID 113278524) is N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide?
The InChIKey is MNWBZZJRIRYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-10-18-13-7-5-4-6-12(13)14(17)15-11(2)8-9-16/h3-7,11,16H,1,8-10H2,2H3,(H,15,17).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide?
N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide is sourced from PubChem (CID 113278524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).