methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate

C22H28N2O5 — CID 3633129

IUPACmethyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate
SMILESCCOc1cc(C=NNC(=O)OC)ccc1OCCCOc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O5/c1-5-27-21-14-18(15-23-24-22(25)26-4)8-10-20(21)29-12-6-11-28-19-9-7-16(2)17(3)13-19/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,25)
InChIKeyJBNLXQNZRJFAQS-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.24
Rot. Bonds10

About methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate

methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate (PubChem CID 3633129) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate
PubChem CID3633129
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Namemethyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate
SMILESCCOc1cc(C=NNC(=O)OC)ccc1OCCCOc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O5/c1-5-27-21-14-18(15-23-24-22(25)26-4)8-10-20(21)29-12-6-11-28-19-9-7-16(2)17(3)13-19/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,25)
InChIKeyJBNLXQNZRJFAQS-UHFFFAOYSA-N
XLogP4.24
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate with MolForge

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Related Compounds

methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
[[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 4692458
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea
CID 5036954
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
2-(3,4-dimethylphenoxy)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 689586
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 9073708
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate (CID 3633129) is methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate is CCOc1cc(C=NNC(=O)OC)ccc1OCCCOc1ccc(C)c(C)c1.
What is the InChIKey of methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate?
The InChIKey is JBNLXQNZRJFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-5-27-21-14-18(15-23-24-22(25)26-4)8-10-20(21)29-12-6-11-28-19-9-7-16(2)17(3)13-19/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,25).
What are the key properties of methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate?
methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate has a molecular weight of 400.48 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate is sourced from PubChem (CID 3633129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).