N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide

C24H22N2O4 — CID 166420737

IUPACN-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C24H22N2O4/c1-3-23(27)26-20-9-5-4-8-17(20)16-24(28)25-18-12-14-19(15-13-18)30-22-11-7-6-10-21(22)29-2/h3-15H,1,16H2,2H3,(H,25,28)(H,26,27)
InChIKeyRQRVQFUOGZCJBE-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.79
Rot. Bonds8

About N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420737) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420737
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C24H22N2O4/c1-3-23(27)26-20-9-5-4-8-17(20)16-24(28)25-18-12-14-19(15-13-18)30-22-11-7-6-10-21(22)29-2/h3-15H,1,16H2,2H3,(H,25,28)(H,26,27)
InChIKeyRQRVQFUOGZCJBE-UHFFFAOYSA-N
XLogP4.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
N-[4-(2-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987367
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420737) is N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccccc2OC)cc1.
What is the InChIKey of N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is RQRVQFUOGZCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-3-23(27)26-20-9-5-4-8-17(20)16-24(28)25-18-12-14-19(15-13-18)30-22-11-7-6-10-21(22)29-2/h3-15H,1,16H2,2H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 402.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).