N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide

C14H18ClN3O4 — CID 8989020

IUPACN'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
SMILESCCCOc1c(Cl)cc(/C=N\NC(=O)C(=O)NC)cc1OC
InChIInChI=1S/C14H18ClN3O4/c1-4-5-22-12-10(15)6-9(7-11(12)21-3)8-17-18-14(20)13(19)16-2/h6-8H,4-5H2,1-3H3,(H,16,19)(H,18,20)/b17-8-
InChIKeyNYHFVWDMWSBVSE-IUXPMGMMSA-N
MW327.77 g/mol
LogP1.33
Rot. Bonds6

About N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide

N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide (PubChem CID 8989020) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
PubChem CID8989020
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC NameN'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
SMILESCCCOc1c(Cl)cc(/C=N\NC(=O)C(=O)NC)cc1OC
InChIInChI=1S/C14H18ClN3O4/c1-4-5-22-12-10(15)6-9(7-11(12)21-3)8-17-18-14(20)13(19)16-2/h6-8H,4-5H2,1-3H3,(H,16,19)(H,18,20)/b17-8-
InChIKeyNYHFVWDMWSBVSE-IUXPMGMMSA-N
XLogP1.33
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8989016
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 19617933
2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19061551
N'-[(Z)-[3-chloro-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164026
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126169569
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
CID 110539433
N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126317717
1-[(E)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-3-methylthiourea
CID 110508385
N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8989239

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide (CID 8989020) is N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide is CCCOc1c(Cl)cc(/C=N\NC(=O)C(=O)NC)cc1OC.
What is the InChIKey of N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide?
The InChIKey is NYHFVWDMWSBVSE-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-4-5-22-12-10(15)6-9(7-11(12)21-3)8-17-18-14(20)13(19)16-2/h6-8H,4-5H2,1-3H3,(H,16,19)(H,18,20)/b17-8-.
What are the key properties of N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide?
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide has a molecular weight of 327.77 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide is sourced from PubChem (CID 8989020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).