methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate

C18H19NO4 — CID 6174694

IUPACmethyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate
SMILESCOC(=O)/N=C(/Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-21-15-8-4-13(5-9-15)12-17(19-18(20)23-3)14-6-10-16(22-2)11-7-14/h4-11H,12H2,1-3H3/b19-17-
InChIKeyLLDFAFCJLBUQRR-ZPHPHTNESA-N
MW313.35 g/mol
LogP3.50
Rot. Bonds5

About methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate

methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate (PubChem CID 6174694) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate.

Molecular Properties

Compound Namemethyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate
PubChem CID6174694
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate
SMILESCOC(=O)/N=C(/Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-21-15-8-4-13(5-9-15)12-17(19-18(20)23-3)14-6-10-16(22-2)11-7-14/h4-11H,12H2,1-3H3/b19-17-
InChIKeyLLDFAFCJLBUQRR-ZPHPHTNESA-N
XLogP3.50
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate?
The IUPAC name of methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate (CID 6174694) is methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate.
What is the SMILES notation for methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate?
The canonical SMILES for methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate is COC(=O)/N=C(/Cc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate?
The InChIKey is LLDFAFCJLBUQRR-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-15-8-4-13(5-9-15)12-17(19-18(20)23-3)14-6-10-16(22-2)11-7-14/h4-11H,12H2,1-3H3/b19-17-.
What are the key properties of methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate?
methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate has a molecular weight of 313.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate is sourced from PubChem (CID 6174694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).