tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate

C17H28N2O3 — CID 107243419

IUPACtert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
SMILESCC(C)CNCCOc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-13(2)12-18-10-11-21-15-8-6-14(7-9-15)19-16(20)22-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChIKeyCQDWCZKAEKBMSH-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.66
Rot. Bonds7

About tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate

tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate (PubChem CID 107243419) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
PubChem CID107243419
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
SMILESCC(C)CNCCOc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-13(2)12-18-10-11-21-15-8-6-14(7-9-15)19-16(20)22-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChIKeyCQDWCZKAEKBMSH-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[2-(propylamino)ethoxy]phenyl]carbamate
CID 107243405
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[4-[2-(pentan-2-ylamino)ethoxy]phenyl]carbamate
CID 107243401
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-[4-(6-bromohexoxy)phenyl]carbamate
CID 175668643
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
CID 27758271
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680
tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]phenyl]carbamate
CID 107243418
tert-butyl N-[3-[4-(sulfanylamino)phenoxy]propyl]carbamate
CID 23525758
4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]ethoxy]butanoic acid;sulfane
CID 175451215
tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate
CID 173230831
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
CID 112987837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate (CID 107243419) is tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate is CC(C)CNCCOc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate?
The InChIKey is CQDWCZKAEKBMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(2)12-18-10-11-21-15-8-6-14(7-9-15)19-16(20)22-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate?
tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate is sourced from PubChem (CID 107243419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).