N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide

C22H20ClN3O3 — CID 8931011

IUPACN'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c1-2-24-21(27)22(28)26-25-13-15-10-11-20(19(23)12-15)29-14-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,2,14H2,1H3,(H,24,27)(H,26,28)/b25-13-
InChIKeyPESCBUIQHNLOKC-MXAYSNPKSA-N
MW409.87 g/mol
LogP3.66
Rot. Bonds6

About N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide

N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide (PubChem CID 8931011) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide
PubChem CID8931011
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c1-2-24-21(27)22(28)26-25-13-15-10-11-20(19(23)12-15)29-14-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,2,14H2,1H3,(H,24,27)(H,26,28)/b25-13-
InChIKeyPESCBUIQHNLOKC-MXAYSNPKSA-N
XLogP3.66
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8902259
N-[(E)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126320496
1-[[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethylthiourea
CID 3938363
N'-[(E)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 19658408
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877
N'-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8930776
1-ethyl-3-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
CID 5349905
N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931002
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5426311
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide (CID 8931011) is N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide is CCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide?
The InChIKey is PESCBUIQHNLOKC-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-2-24-21(27)22(28)26-25-13-15-10-11-20(19(23)12-15)29-14-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,2,14H2,1H3,(H,24,27)(H,26,28)/b25-13-.
What are the key properties of N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide?
N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide has a molecular weight of 409.87 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide is sourced from PubChem (CID 8931011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).