tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate

C17H26N2O4 — CID 107243436

IUPACtert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCCNC2CCOC2)c1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-13-5-4-6-15(11-13)22-10-8-18-14-7-9-21-12-14/h4-6,11,14,18H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyKNEXNNZNUFASQR-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.79
Rot. Bonds6

About tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate

tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate (PubChem CID 107243436) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate
PubChem CID107243436
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCCNC2CCOC2)c1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-13-5-4-6-15(11-13)22-10-8-18-14-7-9-21-12-14/h4-6,11,14,18H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyKNEXNNZNUFASQR-UHFFFAOYSA-N
XLogP2.79
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
CID 107243444
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-[2-(3-aminopropylamino)ethoxy]phenyl]carbamate
CID 107243446
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
tert-butyl N-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethoxy]phenyl]carbamate
CID 174211942
tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate
CID 104860245
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]phenyl]carbamate
CID 107243418
tert-butyl N-[3-[3-[[3-carbamoyl-5-cyclopropyl-6-(oxan-4-ylamino)pyrazin-2-yl]amino]phenoxy]propyl]carbamate
CID 167486917
1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate (CID 107243436) is tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(OCCNC2CCOC2)c1.
What is the InChIKey of tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate?
The InChIKey is KNEXNNZNUFASQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-13-5-4-6-15(11-13)22-10-8-18-14-7-9-21-12-14/h4-6,11,14,18H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate?
tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate is sourced from PubChem (CID 107243436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).