tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate

C16H26N2O3 — CID 115671145

IUPACtert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
SMILESCC(C)Oc1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)20-14-8-6-13(7-9-14)17-10-11-18-15(19)21-16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyQCHVLMDJZNYGEN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.41
Rot. Bonds6

About tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate

tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate (PubChem CID 115671145) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
PubChem CID115671145
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
SMILESCC(C)Oc1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)20-14-8-6-13(7-9-14)17-10-11-18-15(19)21-16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyQCHVLMDJZNYGEN-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
CID 115628869
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
CID 112987837
tert-butyl N-[2,3-dihydroxy-3-(4-propan-2-yloxyphenyl)propyl]carbamate
CID 170832461
tert-butyl N-[2-[4-(cyanomethoxy)anilino]ethyl]carbamate
CID 115628902
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
tert-butyl N-[1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]carbamate
CID 71505185
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108871280
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-[4-(4-aminobutyl)anilino]ethyl]carbamate
CID 58664817

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate (CID 115671145) is tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate is CC(C)Oc1ccc(NCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate?
The InChIKey is QCHVLMDJZNYGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)20-14-8-6-13(7-9-14)17-10-11-18-15(19)21-16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate?
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate is sourced from PubChem (CID 115671145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).