methyl N-(2,2-diphenylpent-4-enyl)carbamate

C19H21NO2 — CID 135072663

IUPACmethyl N-(2,2-diphenylpent-4-enyl)carbamate
SMILESC=CCC(CNC(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-14-19(15-20-18(21)22-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-13H,1,14-15H2,2H3,(H,20,21)
InChIKeyLJDKAWJMCKHUMV-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.90
Rot. Bonds6

About methyl N-(2,2-diphenylpent-4-enyl)carbamate

methyl N-(2,2-diphenylpent-4-enyl)carbamate (PubChem CID 135072663) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl N-(2,2-diphenylpent-4-enyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2-diphenylpent-4-enyl)carbamate
PubChem CID135072663
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl N-(2,2-diphenylpent-4-enyl)carbamate
SMILESC=CCC(CNC(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-14-19(15-20-18(21)22-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-13H,1,14-15H2,2H3,(H,20,21)
InChIKeyLJDKAWJMCKHUMV-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
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-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine
CID 161106850
fluoro 2-methyl-2-phenylpent-4-enoate
CID 143008077
tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate
CID 67266052
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
2-benzyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid
CID 154944606
(2S)-2-benzyl-2-(methoxycarbonylamino)pent-4-enoic acid
CID 67855850
2-phenylpent-4-en-2-yl acetate
CID 15164764
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
benzyl (2S)-2-benzyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 154955613
1-phenylbut-3-ene-1,1-diol
CID 134892936
ethyl 2-chloro-3-hydroxy-3-phenylhex-5-enoate
CID 10778350

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2-diphenylpent-4-enyl)carbamate?
The IUPAC name of methyl N-(2,2-diphenylpent-4-enyl)carbamate (CID 135072663) is methyl N-(2,2-diphenylpent-4-enyl)carbamate.
What is the SMILES notation for methyl N-(2,2-diphenylpent-4-enyl)carbamate?
The canonical SMILES for methyl N-(2,2-diphenylpent-4-enyl)carbamate is C=CCC(CNC(=O)OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-(2,2-diphenylpent-4-enyl)carbamate?
The InChIKey is LJDKAWJMCKHUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-14-19(15-20-18(21)22-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-13H,1,14-15H2,2H3,(H,20,21).
What are the key properties of methyl N-(2,2-diphenylpent-4-enyl)carbamate?
methyl N-(2,2-diphenylpent-4-enyl)carbamate has a molecular weight of 295.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2-diphenylpent-4-enyl)carbamate is sourced from PubChem (CID 135072663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).