methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate

C18H19NO4 — CID 2337569

IUPACmethyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate
SMILESCOC(=O)N/C(=C/c1ccc(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/h4-12H,1-3H3,(H,19,20)/b17-12+
InChIKeyITYVRYKQDSFAOP-SFQUDFHCSA-N
MW313.35 g/mol
LogP3.56
Rot. Bonds5

About methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate

methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate (PubChem CID 2337569) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate
PubChem CID2337569
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate
SMILESCOC(=O)N/C(=C/c1ccc(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/h4-12H,1-3H3,(H,19,20)/b17-12+
InChIKeyITYVRYKQDSFAOP-SFQUDFHCSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
2-[1,2-bis(4-methoxyphenyl)ethenyl]-1,1-diphenylhydrazine
CID 67170875
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
methyl (E)-2-[(methoxycarbonylamino)methyl]-3-(4-methoxyphenyl)prop-2-enoate
CID 102356904
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate?
The IUPAC name of methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate (CID 2337569) is methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate.
What is the SMILES notation for methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate?
The canonical SMILES for methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate is COC(=O)N/C(=C/c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate?
The InChIKey is ITYVRYKQDSFAOP-SFQUDFHCSA-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/h4-12H,1-3H3,(H,19,20)/b17-12+.
What are the key properties of methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate?
methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate has a molecular weight of 313.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate is sourced from PubChem (CID 2337569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).