N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C15H21NO2 — CID 2927461

IUPACN-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOCCNC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)14-7-4-13(5-8-14)6-9-15(17)16-10-11-18-3/h4-9,12H,10-11H2,1-3H3,(H,16,17)
InChIKeySVENMCHNYGSAEJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.59
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 2927461) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID2927461
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOCCNC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)14-7-4-13(5-8-14)6-9-15(17)16-10-11-18-3/h4-9,12H,10-11H2,1-3H3,(H,16,17)
InChIKeySVENMCHNYGSAEJ-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
methyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate
CID 102534511
(E)-N-but-3-enyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 113466047
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19174605
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetic acid
CID 43239068
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5141905
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6282757
ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetate
CID 6087824
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 2927461) is N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is COCCNC(=O)C=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is SVENMCHNYGSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)14-7-4-13(5-8-14)6-9-15(17)16-10-11-18-3/h4-9,12H,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 2927461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).