2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide

C18H19NO3 — CID 31180128

IUPAC2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H19NO3/c1-3-12-22-15-10-8-14(9-11-15)13-19(2)18(21)16-6-4-5-7-17(16)20/h3-11,20H,1,12-13H2,2H3
InChIKeyYAZYYCMQPLKIRP-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.23
Rot. Bonds6

About 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide

2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide (PubChem CID 31180128) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
PubChem CID31180128
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H19NO3/c1-3-12-22-15-10-8-14(9-11-15)13-19(2)18(21)16-6-4-5-7-17(16)20/h3-11,20H,1,12-13H2,2H3
InChIKeyYAZYYCMQPLKIRP-UHFFFAOYSA-N
XLogP3.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
4-bromo-3,5-dimethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090762
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 46410979
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127
4-(benzotriazol-1-ylmethyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090759
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
N-[(2S,3S)-3-methyl-1-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-1-oxopentan-2-yl]benzamide
CID 24544774
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide (CID 31180128) is 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide is C=CCOc1ccc(CN(C)C(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
The InChIKey is YAZYYCMQPLKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-12-22-15-10-8-14(9-11-15)13-19(2)18(21)16-6-4-5-7-17(16)20/h3-11,20H,1,12-13H2,2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide is sourced from PubChem (CID 31180128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).