N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide

C20H22ClN3O5 — CID 5261637

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCOc1cc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1OCC(N)=O
InChIInChI=1S/C20H22ClN3O5/c1-20(2,29-15-7-5-14(21)6-8-15)19(26)24-23-11-13-4-9-16(17(10-13)27-3)28-12-18(22)25/h4-11H,12H2,1-3H3,(H2,22,25)(H,24,26)
InChIKeyJIIGCNLEFPMDLC-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.52
Rot. Bonds9

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 5261637) has the molecular formula C20H22ClN3O5 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID5261637
Molecular FormulaC20H22ClN3O5
Molecular Weight419.87 g/mol
Exact Mass419.12
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCOc1cc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1OCC(N)=O
InChIInChI=1S/C20H22ClN3O5/c1-20(2,29-15-7-5-14(21)6-8-15)19(26)24-23-11-13-4-9-16(17(10-13)27-3)28-12-18(22)25/h4-11H,12H2,1-3H3,(H2,22,25)(H,24,26)
InChIKeyJIIGCNLEFPMDLC-UHFFFAOYSA-N
XLogP2.52
TPSA112.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)propanamide
CID 5097247
N-[1-[2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 3498479
2-[2-methoxy-4-[(Z)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetamide
CID 7933988
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-tert-butylcyclohexane-1-carboxamide
CID 5431767
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 9358682
N'-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 19658472
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 5431292
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8990276

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 5261637) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide is COc1cc(C=NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is JIIGCNLEFPMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5/c1-20(2,29-15-7-5-14(21)6-8-15)19(26)24-23-11-13-4-9-16(17(10-13)27-3)28-12-18(22)25/h4-11H,12H2,1-3H3,(H2,22,25)(H,24,26).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 419.87 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 5261637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).