N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide

C18H25NO2 — CID 50984697

IUPACN-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1C)C(=O)CC1CCOCC1
InChIInChI=1S/C18H25NO2/c1-3-10-19(14-17-7-5-4-6-15(17)2)18(20)13-16-8-11-21-12-9-16/h3-7,16H,1,8-14H2,2H3
InChIKeyLAGBTRRBJVZTEZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.33
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide

N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide (PubChem CID 50984697) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide
PubChem CID50984697
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1C)C(=O)CC1CCOCC1
InChIInChI=1S/C18H25NO2/c1-3-10-19(14-17-7-5-4-6-15(17)2)18(20)13-16-8-11-21-12-9-16/h3-7,16H,1,8-14H2,2H3
InChIKeyLAGBTRRBJVZTEZ-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(2-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360082
N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide
CID 91914999
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide
CID 50965842
2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347295
N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide
CID 50970022
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
N-cyclopropyl-4-methyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-2-oxoethyl]benzamide
CID 3283390
N-[(4-cyanophenyl)methyl]-N-prop-2-enyl-2-(thian-4-yl)acetamide
CID 75427071
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
3-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbutanamide
CID 42763891
3-[(2,3-difluorophenyl)methyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoic acid
CID 125151849

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide (CID 50984697) is N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide is C=CCN(Cc1ccccc1C)C(=O)CC1CCOCC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide?
The InChIKey is LAGBTRRBJVZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-10-19(14-17-7-5-4-6-15(17)2)18(20)13-16-8-11-21-12-9-16/h3-7,16H,1,8-14H2,2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide?
N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide has a molecular weight of 287.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 50984697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).