1,1-diphenylprop-2-enyl N,N-diphenylcarbamate

C28H23NO2 — CID 139634924

IUPAC1,1-diphenylprop-2-enyl N,N-diphenylcarbamate
SMILESC=CC(OC(=O)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO2/c1-2-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)31-27(30)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h2-22H,1H2
InChIKeyCYGMQFKJIOTOJY-UHFFFAOYSA-N
MW405.50 g/mol
LogP7.09
Rot. Bonds6

About 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate

1,1-diphenylprop-2-enyl N,N-diphenylcarbamate (PubChem CID 139634924) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate.

Molecular Properties

Compound Name1,1-diphenylprop-2-enyl N,N-diphenylcarbamate
PubChem CID139634924
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name1,1-diphenylprop-2-enyl N,N-diphenylcarbamate
SMILESC=CC(OC(=O)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO2/c1-2-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)31-27(30)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h2-22H,1H2
InChIKeyCYGMQFKJIOTOJY-UHFFFAOYSA-N
XLogP7.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
silyl 2-ethenyl-2-phenylbut-3-enoate
CID 123631953
1,1-diphenylurea
CID 174849888
ditrityl but-2-enedioate
CID 54115376
cobalt;bis(diphenylcarbamic acid)
CID 155679078
tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate
CID 15316571
N-methoxy-N-phenylprop-2-enamide
CID 11816178
[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate
CID 118271941
2-ethenyl-2-phenylbut-3-enamide
CID 121008159
tert-butyl N-[(1E)-buta-1,3-dienyl]-N-phenylcarbamate
CID 122218361
phenyl N-ethenyl-N-phenylcarbamate
CID 154121806
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]benzoate
CID 7022399

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate?
The IUPAC name of 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate (CID 139634924) is 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate.
What is the SMILES notation for 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate?
The canonical SMILES for 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate is C=CC(OC(=O)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate?
The InChIKey is CYGMQFKJIOTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-2-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)31-27(30)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h2-22H,1H2.
What are the key properties of 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate?
1,1-diphenylprop-2-enyl N,N-diphenylcarbamate has a molecular weight of 405.50 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylprop-2-enyl N,N-diphenylcarbamate is sourced from PubChem (CID 139634924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).