[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate

C30H25NO5 — CID 6125532

IUPAC[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate
SMILESCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C30H25NO5/c1-34-26-17-15-23(16-18-26)27(32)19-13-22-14-20-28(29(21-22)35-2)36-30(33)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-21H,1-2H3/b19-13+
InChIKeyVXEYUIIAELNXQR-CPNJWEJPSA-N
MW479.53 g/mol
LogP6.94
Rot. Bonds8

About [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate

[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate (PubChem CID 6125532) has the molecular formula C30H25NO5 and a molecular weight of 479.53 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate
PubChem CID6125532
Molecular FormulaC30H25NO5
Molecular Weight479.53 g/mol
Exact Mass479.17
IUPAC Name[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate
SMILESCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C30H25NO5/c1-34-26-17-15-23(16-18-26)27(32)19-13-22-14-20-28(29(21-22)35-2)36-30(33)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-21H,1-2H3/b19-13+
InChIKeyVXEYUIIAELNXQR-CPNJWEJPSA-N
XLogP6.94
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2,6-dimethoxybenzoate
CID 6124819
[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3-methoxybenzoate
CID 6267354
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6267532
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 8856879
[2-methoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6124891
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 8856878
[2-methoxy-4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 2-methoxybenzoate
CID 6125226
[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate
CID 18836015
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3,4-dimethoxybenzoate
CID 5089620
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate?
The IUPAC name of [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate (CID 6125532) is [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate.
What is the SMILES notation for [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate?
The canonical SMILES for [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate is COc1ccc(C(=O)/C=C/c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)c(OC)c2)cc1.
What is the InChIKey of [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate?
The InChIKey is VXEYUIIAELNXQR-CPNJWEJPSA-N. The full InChI is InChI=1S/C30H25NO5/c1-34-26-17-15-23(16-18-26)27(32)19-13-22-14-20-28(29(21-22)35-2)36-30(33)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-21H,1-2H3/b19-13+.
What are the key properties of [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate?
[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate has a molecular weight of 479.53 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-diphenylcarbamate is sourced from PubChem (CID 6125532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).