methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate

C24H24N2O6 — CID 46886473

IUPACmethyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate
SMILESCOC(=O)NNC(=O)/C(=C/c1cccc2ccccc12)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H24N2O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)19(23(27)25-26-24(28)32-4)12-16-10-7-9-15-8-5-6-11-18(15)16/h5-14H,1-4H3,(H,25,27)(H,26,28)/b19-12+
InChIKeyUJXXCLLTMXDPMP-XDHOZWIPSA-N
MW436.46 g/mol
LogP3.79
Rot. Bonds6

About methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate

methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate (PubChem CID 46886473) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate
PubChem CID46886473
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namemethyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate
SMILESCOC(=O)NNC(=O)/C(=C/c1cccc2ccccc12)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H24N2O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)19(23(27)25-26-24(28)32-4)12-16-10-7-9-15-8-5-6-11-18(15)16/h5-14H,1-4H3,(H,25,27)(H,26,28)/b19-12+
InChIKeyUJXXCLLTMXDPMP-XDHOZWIPSA-N
XLogP3.79
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate?
The IUPAC name of methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate (CID 46886473) is methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate.
What is the SMILES notation for methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate?
The canonical SMILES for methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate is COC(=O)NNC(=O)/C(=C/c1cccc2ccccc12)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate?
The InChIKey is UJXXCLLTMXDPMP-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)19(23(27)25-26-24(28)32-4)12-16-10-7-9-15-8-5-6-11-18(15)16/h5-14H,1-4H3,(H,25,27)(H,26,28)/b19-12+.
What are the key properties of methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate?
methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate has a molecular weight of 436.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(E)-3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate is sourced from PubChem (CID 46886473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).