tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate

C15H24N2O3 — CID 22981126

IUPACtert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(N)cc1C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-14(2,3)20-13(18)17-15(4,5)11-9-10(16)7-8-12(11)19-6/h7-9H,16H2,1-6H3,(H,17,18)
InChIKeyQTOJJQGGXYSXKD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate

tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate (PubChem CID 22981126) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
PubChem CID22981126
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(N)cc1C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-14(2,3)20-13(18)17-15(4,5)11-9-10(16)7-8-12(11)19-6/h7-9H,16H2,1-6H3,(H,17,18)
InChIKeyQTOJJQGGXYSXKD-UHFFFAOYSA-N
XLogP3.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[5-(carbamothioylamino)-2-methoxyphenyl]propan-2-yl]carbamate
CID 22981082
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
(5-amino-2-methoxyphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146315153
tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
CID 167211985
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088
3-(5-amino-2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118276903
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate
CID 139316286
tert-butyl N-[(2S)-2-(5-amino-2-fluorophenyl)-4-methylpent-4-en-2-yl]carbamate
CID 130409329
tert-butyl N-[4-[4-(4-amino-2-methoxyphenoxy)butyl]phenyl]carbamate
CID 142744776
tert-butyl 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]acetate
CID 116686926
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate (CID 22981126) is tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate is COc1ccc(N)cc1C(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate?
The InChIKey is QTOJJQGGXYSXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-14(2,3)20-13(18)17-15(4,5)11-9-10(16)7-8-12(11)19-6/h7-9H,16H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate?
tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 22981126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).