phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate

C20H24N2O4 — CID 140750465

IUPACphenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate
SMILESCOc1c(CC(N)=O)cc(C(C)(C)C)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)14-10-13(11-17(21)23)18(25-4)16(12-14)22-19(24)26-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeySVZYBKWZAPPFBL-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.63
Rot. Bonds5

About phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate

phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate (PubChem CID 140750465) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate
PubChem CID140750465
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namephenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate
SMILESCOc1c(CC(N)=O)cc(C(C)(C)C)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)14-10-13(11-17(21)23)18(25-4)16(12-14)22-19(24)26-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeySVZYBKWZAPPFBL-UHFFFAOYSA-N
XLogP3.63
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate?
The IUPAC name of phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate (CID 140750465) is phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate?
The canonical SMILES for phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate is COc1c(CC(N)=O)cc(C(C)(C)C)cc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate?
The InChIKey is SVZYBKWZAPPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)14-10-13(11-17(21)23)18(25-4)16(12-14)22-19(24)26-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H2,21,23)(H,22,24).
What are the key properties of phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate?
phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate is sourced from PubChem (CID 140750465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).