2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide

C21H22N2O2 — CID 122363330

IUPAC2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)/C(=N\c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-4-15-23(16-5-2)21(24)20(17-9-7-6-8-10-17)22-18-11-13-19(25-3)14-12-18/h4-14H,1-2,15-16H2,3H3/b22-20-
InChIKeyWHMJSNZVHHYWSQ-XDOYNYLZSA-N
MW334.42 g/mol
LogP4.02
Rot. Bonds8

About 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide

2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 122363330) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID122363330
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)/C(=N\c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-4-15-23(16-5-2)21(24)20(17-9-7-6-8-10-17)22-18-11-13-19(25-3)14-12-18/h4-14H,1-2,15-16H2,3H3/b22-20-
InChIKeyWHMJSNZVHHYWSQ-XDOYNYLZSA-N
XLogP4.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
N,N-dimethyl-2-phenyl-2-phenyliminoacetamide
CID 11736863
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
2-[[3-(4-methoxyphenyl)benzoyl]-prop-2-enylamino]benzoic acid
CID 5170533
3-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55982363
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135078809
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide (CID 122363330) is 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)/C(=N\c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is WHMJSNZVHHYWSQ-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-15-23(16-5-2)21(24)20(17-9-7-6-8-10-17)22-18-11-13-19(25-3)14-12-18/h4-14H,1-2,15-16H2,3H3/b22-20-.
What are the key properties of 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide?
2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 122363330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).