N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide

C17H25NO3 — CID 103725734

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC(CCC)CCO
InChIInChI=1S/C17H25NO3/c1-3-7-14(10-11-19)13-18-17(20)15-8-5-6-9-16(15)21-12-4-2/h4-6,8-9,14,19H,2-3,7,10-13H2,1H3,(H,18,20)
InChIKeyYKADGLJSHHZTGI-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.78
Rot. Bonds10

About N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide

N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide (PubChem CID 103725734) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
PubChem CID103725734
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC(CCC)CCO
InChIInChI=1S/C17H25NO3/c1-3-7-14(10-11-19)13-18-17(20)15-8-5-6-9-16(15)21-12-4-2/h4-6,8-9,14,19H,2-3,7,10-13H2,1H3,(H,18,20)
InChIKeyYKADGLJSHHZTGI-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.78
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-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
CID 113278524
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
CID 115767251
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
CID 114306598
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 106113235
2-[2-[2-(2-hydroxyethyl)pentylamino]ethoxy]benzoic acid
CID 106115841
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide (CID 103725734) is N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NCC(CCC)CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide?
The InChIKey is YKADGLJSHHZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-7-14(10-11-19)13-18-17(20)15-8-5-6-9-16(15)21-12-4-2/h4-6,8-9,14,19H,2-3,7,10-13H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide?
N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 103725734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).