[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate

C23H29NO4 — CID 78127654

IUPAC[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate
SMILESCOc1cc(C=Cc2ccc(OC(=O)N(C(C)C)C(C)C)cc2)cc(OC)c1
InChIInChI=1S/C23H29NO4/c1-16(2)24(17(3)4)23(25)28-20-11-9-18(10-12-20)7-8-19-13-21(26-5)15-22(14-19)27-6/h7-17H,1-6H3
InChIKeyXNEVUJMWBAXDJE-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.49
Rot. Bonds7

About [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate

[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 78127654) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate
PubChem CID78127654
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate
SMILESCOc1cc(C=Cc2ccc(OC(=O)N(C(C)C)C(C)C)cc2)cc(OC)c1
InChIInChI=1S/C23H29NO4/c1-16(2)24(17(3)4)23(25)28-20-11-9-18(10-12-20)7-8-19-13-21(26-5)15-22(14-19)27-6/h7-17H,1-6H3
InChIKeyXNEVUJMWBAXDJE-UHFFFAOYSA-N
XLogP5.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
CID 174666755
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2-aminoacetate;hydrochloride
CID 46190957
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91744795
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2-[(2-amino-3-methylbutyl)amino]ethylsulfanylformate
CID 175392678
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] methanesulfonate
CID 46190891
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 2-methylpropanoate;[4-[(E)-2-[3-(hydroxymethyl)-5-methoxyphenyl]ethenyl]phenyl] 2-methylpropanoate
CID 160550826
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2-[(2-amino-3-methylbutyl)amino]ethylsulfanylformate;hydrochloride
CID 175392677

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate (CID 78127654) is [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate is COc1cc(C=Cc2ccc(OC(=O)N(C(C)C)C(C)C)cc2)cc(OC)c1.
What is the InChIKey of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is XNEVUJMWBAXDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-16(2)24(17(3)4)23(25)28-20-11-9-18(10-12-20)7-8-19-13-21(26-5)15-22(14-19)27-6/h7-17H,1-6H3.
What are the key properties of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate?
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 383.49 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 78127654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).