N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide

C15H21NO3 — CID 113225723

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
SMILESCOCCOc1cc(C)ccc1NC(=O)C=C(C)C
InChIInChI=1S/C15H21NO3/c1-11(2)9-15(17)16-13-6-5-12(3)10-14(13)19-8-7-18-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyBALLXVZINCOJNR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide (PubChem CID 113225723) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
PubChem CID113225723
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
SMILESCOCCOc1cc(C)ccc1NC(=O)C=C(C)C
InChIInChI=1S/C15H21NO3/c1-11(2)9-15(17)16-13-6-5-12(3)10-14(13)19-8-7-18-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyBALLXVZINCOJNR-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 103733044
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55950792
N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421351
N-(2-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 30734863

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide (CID 113225723) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide is COCCOc1cc(C)ccc1NC(=O)C=C(C)C.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide?
The InChIKey is BALLXVZINCOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)9-15(17)16-13-6-5-12(3)10-14(13)19-8-7-18-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 113225723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).