N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide

C19H27NO4 — CID 126836030

IUPACN-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC(C)(C)C1(O)CCCOC1
InChIInChI=1S/C19H27NO4/c1-4-11-24-16-9-6-5-8-15(16)17(21)20-13-18(2,3)19(22)10-7-12-23-14-19/h4-6,8-9,22H,1,7,10-14H2,2-3H3,(H,20,21)
InChIKeyPOXSVCUAUREGMY-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.55
Rot. Bonds7

About N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide

N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide (PubChem CID 126836030) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide
PubChem CID126836030
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC(C)(C)C1(O)CCCOC1
InChIInChI=1S/C19H27NO4/c1-4-11-24-16-9-6-5-8-15(16)17(21)20-13-18(2,3)19(22)10-7-12-23-14-19/h4-6,8-9,22H,1,7,10-14H2,2-3H3,(H,20,21)
InChIKeyPOXSVCUAUREGMY-UHFFFAOYSA-N
XLogP2.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
CID 103849206
1-[[(2-prop-2-enoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544590
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
CID 115700247
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
2-ethyl-2-[(2-prop-2-enoxybenzoyl)amino]butanoic acid
CID 79813929

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide (CID 126836030) is N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NCC(C)(C)C1(O)CCCOC1.
What is the InChIKey of N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide?
The InChIKey is POXSVCUAUREGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-11-24-16-9-6-5-8-15(16)17(21)20-13-18(2,3)19(22)10-7-12-23-14-19/h4-6,8-9,22H,1,7,10-14H2,2-3H3,(H,20,21).
What are the key properties of N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide?
N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide has a molecular weight of 333.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 126836030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).