N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide

C15H19NO4 — CID 103849206

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C15H19NO4/c1-2-8-20-13-6-4-3-5-12(13)14(17)16-10-15(18)7-9-19-11-15/h2-6,18H,1,7-11H2,(H,16,17)
InChIKeyOXAIFMJKKJTKNM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.13
Rot. Bonds6

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide (PubChem CID 103849206) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
PubChem CID103849206
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C15H19NO4/c1-2-8-20-13-6-4-3-5-12(13)14(17)16-10-15(18)7-9-19-11-15/h2-6,18H,1,7-11H2,(H,16,17)
InChIKeyOXAIFMJKKJTKNM-UHFFFAOYSA-N
XLogP1.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.13
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-[2-(3-hydroxyoxan-3-yl)-2-methylpropyl]-2-prop-2-enoxybenzamide
CID 126836030
2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide
CID 106102823
1-[[(2-prop-2-enoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544590
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide (CID 103849206) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide?
The InChIKey is OXAIFMJKKJTKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-8-20-13-6-4-3-5-12(13)14(17)16-10-15(18)7-9-19-11-15/h2-6,18H,1,7-11H2,(H,16,17).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide has a molecular weight of 277.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 103849206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).