tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate

C18H30N2O3 — CID 166686967

IUPACtert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
SMILESCC(C)C(C)(C)ONc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-13(2)18(6,7)23-20-15-10-8-9-14(11-15)12-19-16(21)22-17(3,4)5/h8-11,13,20H,12H2,1-7H3,(H,19,21)
InChIKeyIUCZLYIQWLYRFQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.49
Rot. Bonds6

About tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate

tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate (PubChem CID 166686967) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
PubChem CID166686967
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
SMILESCC(C)C(C)(C)ONc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-13(2)18(6,7)23-20-15-10-8-9-14(11-15)12-19-16(21)22-17(3,4)5/h8-11,13,20H,12H2,1-7H3,(H,19,21)
InChIKeyIUCZLYIQWLYRFQ-UHFFFAOYSA-N
XLogP4.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
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tert-butyl N-[[3-(3-chloroanilino)phenyl]methyl]carbamate
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tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
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tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
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tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[[3-(1-pyridin-3-ylethylamino)phenyl]methyl]carbamate
CID 113354942

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate (CID 166686967) is tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate is CC(C)C(C)(C)ONc1cccc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate?
The InChIKey is IUCZLYIQWLYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13(2)18(6,7)23-20-15-10-8-9-14(11-15)12-19-16(21)22-17(3,4)5/h8-11,13,20H,12H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate?
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate is sourced from PubChem (CID 166686967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).