tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate

C17H26N2O4 — CID 87418131

IUPACtert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
SMILESCCN(Cc1ccc(C(=O)N(C)OC)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-7-19(16(21)23-17(2,3)4)12-13-8-10-14(11-9-13)15(20)18(5)22-6/h8-11H,7,12H2,1-6H3
InChIKeyHAQIOHFHBJLMGG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.08
Rot. Bonds5

About tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 87418131) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID87418131
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
SMILESCCN(Cc1ccc(C(=O)N(C)OC)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-7-19(16(21)23-17(2,3)4)12-13-8-10-14(11-9-13)15(20)18(5)22-6/h8-11H,7,12H2,1-6H3
InChIKeyHAQIOHFHBJLMGG-UHFFFAOYSA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate (CID 87418131) is tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate is CCN(Cc1ccc(C(=O)N(C)OC)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is HAQIOHFHBJLMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-7-19(16(21)23-17(2,3)4)12-13-8-10-14(11-9-13)15(20)18(5)22-6/h8-11H,7,12H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 87418131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).