N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide

C13H17NO3 — CID 54875824

IUPACN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-3-13(16)14(8-9-15)10-11-6-4-5-7-12(11)17-2/h3-7,15H,1,8-10H2,2H3
InChIKeyZVELCADZRYLLFP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.20
Rot. Bonds6

About N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide

N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 54875824) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
PubChem CID54875824
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-3-13(16)14(8-9-15)10-11-6-4-5-7-12(11)17-2/h3-7,15H,1,8-10H2,2H3
InChIKeyZVELCADZRYLLFP-UHFFFAOYSA-N
XLogP1.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79279066
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 61067842
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide (CID 54875824) is N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide is C=CC(=O)N(CCO)Cc1ccccc1OC.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is ZVELCADZRYLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-13(16)14(8-9-15)10-11-6-4-5-7-12(11)17-2/h3-7,15H,1,8-10H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 54875824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).