N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide

C14H19NO2 — CID 47101319

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
SMILESCOc1ccccc1C(C)NC(=O)C=C(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)9-14(16)15-11(3)12-7-5-6-8-13(12)17-4/h5-9,11H,1-4H3,(H,15,16)
InChIKeyMWASXIHQRPILFL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide

N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide (PubChem CID 47101319) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
PubChem CID47101319
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
SMILESCOc1ccccc1C(C)NC(=O)C=C(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)9-14(16)15-11(3)12-7-5-6-8-13(12)17-4/h5-9,11H,1-4H3,(H,15,16)
InChIKeyMWASXIHQRPILFL-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide (CID 47101319) is N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide is COc1ccccc1C(C)NC(=O)C=C(C)C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide?
The InChIKey is MWASXIHQRPILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-14(16)15-11(3)12-7-5-6-8-13(12)17-4/h5-9,11H,1-4H3,(H,15,16).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide?
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide is sourced from PubChem (CID 47101319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).