N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide

C21H24N2O4 — CID 166421351

IUPACN-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)Nc2ccc(C)cc2OCCOC)cc1
InChIInChI=1S/C21H24N2O4/c1-4-20(24)22-17-8-6-16(7-9-17)14-21(25)23-18-10-5-15(2)13-19(18)27-12-11-26-3/h4-10,13H,1,11-12,14H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyKVFBVGXUDXRFSZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.33
Rot. Bonds9

About N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166421351) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166421351
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)Nc2ccc(C)cc2OCCOC)cc1
InChIInChI=1S/C21H24N2O4/c1-4-20(24)22-17-8-6-16(7-9-17)14-21(25)23-18-10-5-15(2)13-19(18)27-12-11-26-3/h4-10,13H,1,11-12,14H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyKVFBVGXUDXRFSZ-UHFFFAOYSA-N
XLogP3.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
N-[4-[2-[2-(1-cyanoethoxy)-4-fluoroanilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421289
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55950792
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
CID 55950031
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166421351) is N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)Nc2ccc(C)cc2OCCOC)cc1.
What is the InChIKey of N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is KVFBVGXUDXRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-20(24)22-17-8-6-16(7-9-17)14-21(25)23-18-10-5-15(2)13-19(18)27-12-11-26-3/h4-10,13H,1,11-12,14H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 368.43 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166421351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).