tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate

C21H29N3O4 — CID 147531434

IUPACtert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
SMILESCC(C)Oc1ccc(N)cc1-c1cc(N(C)C(=O)OC(C)(C)C)c(=O)n(C)c1
InChIInChI=1S/C21H29N3O4/c1-13(2)27-18-9-8-15(22)11-16(18)14-10-17(19(25)23(6)12-14)24(7)20(26)28-21(3,4)5/h8-13H,22H2,1-7H3
InChIKeyFNCRRNCSCVXRIZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate

tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate (PubChem CID 147531434) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
PubChem CID147531434
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nametert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
SMILESCC(C)Oc1ccc(N)cc1-c1cc(N(C)C(=O)OC(C)(C)C)c(=O)n(C)c1
InChIInChI=1S/C21H29N3O4/c1-13(2)27-18-9-8-15(22)11-16(18)14-10-17(19(25)23(6)12-14)24(7)20(26)28-21(3,4)5/h8-13H,22H2,1-7H3
InChIKeyFNCRRNCSCVXRIZ-UHFFFAOYSA-N
XLogP3.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate (CID 147531434) is tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate is CC(C)Oc1ccc(N)cc1-c1cc(N(C)C(=O)OC(C)(C)C)c(=O)n(C)c1.
What is the InChIKey of tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate?
The InChIKey is FNCRRNCSCVXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-13(2)27-18-9-8-15(22)11-16(18)14-10-17(19(25)23(6)12-14)24(7)20(26)28-21(3,4)5/h8-13H,22H2,1-7H3.
What are the key properties of tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate?
tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate has a molecular weight of 387.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(5-amino-2-propan-2-yloxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 147531434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).