N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide

C15H21NO3 — CID 115776203

IUPACN-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-4-7-16(8-9-17)15(18)11-13-6-5-12(2)14(10-13)19-3/h4-6,10,17H,1,7-9,11H2,2-3H3
InChIKeyKKUQRDRGQDGONK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.55
Rot. Bonds7

About N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide

N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide (PubChem CID 115776203) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
PubChem CID115776203
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-4-7-16(8-9-17)15(18)11-13-6-5-12(2)14(10-13)19-3/h4-6,10,17H,1,7-9,11H2,2-3H3
InChIKeyKKUQRDRGQDGONK-UHFFFAOYSA-N
XLogP1.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.55
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

hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
CID 2727906
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CID 10594635
3-(3-methoxyphenyl)-1-methyl-1H-pyrrole-2,5-dione
CID 12891390
2H-Pyrrol-2-one, 1,5-dihydro-3-(3-(dodecyloxy)phenyl)-4-hydroxy-1-methyl-
CID 54699182
2-(3-Methoxy-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-acetamide
CID 401808
N-butyl-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 2287620
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]tetradecanamide
CID 71458403
3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
CID 2729097
N,N-diethyl-2-(3-methoxyphenyl)acetamide
CID 23247938
2-(3-methoxyphenyl)-N-octylacetamide
CID 44315808
3,4-Bis(3,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 46867006
2-Methoxy-1-[4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 53554785

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide (CID 115776203) is N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide is C=CCN(CCO)C(=O)Cc1ccc(C)c(OC)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide?
The InChIKey is KKUQRDRGQDGONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-7-16(8-9-17)15(18)11-13-6-5-12(2)14(10-13)19-3/h4-6,10,17H,1,7-9,11H2,2-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide?
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 115776203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).