2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate

C25H25NO5 — CID 54573334

IUPAC2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate
SMILESCOc1ccc(CCOC(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C25H25NO5/c1-29-21-14-13-18(17-22(21)30-2)15-16-31-25(28)26-24(27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,23H,15-16H2,1-2H3,(H,26,27,28)
InChIKeyZYVWCKJQEMXWLN-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.33
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate

2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate (PubChem CID 54573334) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate
PubChem CID54573334
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate
SMILESCOc1ccc(CCOC(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C25H25NO5/c1-29-21-14-13-18(17-22(21)30-2)15-16-31-25(28)26-24(27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,23H,15-16H2,1-2H3,(H,26,27,28)
InChIKeyZYVWCKJQEMXWLN-UHFFFAOYSA-N
XLogP4.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
bis[[3-(3,4-dimethoxyphenyl)-1-phenylpropyl]amino] 2,3-dihydroxybutanedioate
CID 174502018
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
N-[(3,4-dimethoxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 54781270
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
CID 155112210
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl] methanesulfonate
CID 54530305
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate (CID 54573334) is 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate is COc1ccc(CCOC(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate?
The InChIKey is ZYVWCKJQEMXWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-29-21-14-13-18(17-22(21)30-2)15-16-31-25(28)26-24(27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,23H,15-16H2,1-2H3,(H,26,27,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate?
2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate has a molecular weight of 419.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate is sourced from PubChem (CID 54573334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).