tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate

C15H21NO4 — CID 175297517

IUPACtert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
SMILESCOc1cccc(CC(C)=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(17)9-11-7-6-8-12(19-5)13(11)16-14(18)20-15(2,3)4/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyQNRBKXRVLDOQLK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate

tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate (PubChem CID 175297517) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
PubChem CID175297517
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
SMILESCOc1cccc(CC(C)=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(17)9-11-7-6-8-12(19-5)13(11)16-14(18)20-15(2,3)4/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyQNRBKXRVLDOQLK-UHFFFAOYSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate
CID 175297519
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117417062
ethane;3-methoxy-2-[[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoic acid
CID 91202780
2-[3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 165494210
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
CID 158506120
tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate
CID 86713384
3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate (CID 175297517) is tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate is COc1cccc(CC(C)=O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate?
The InChIKey is QNRBKXRVLDOQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(17)9-11-7-6-8-12(19-5)13(11)16-14(18)20-15(2,3)4/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate?
tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate is sourced from PubChem (CID 175297517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).