tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride

C13H20ClNO3 — CID 174676513

IUPACtert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
SMILESCOc1ccccc1CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-13(2,3)17-12(15)14-9-10-7-5-6-8-11(10)16-4;/h5-8H,9H2,1-4H3,(H,14,15);1H
InChIKeyHPDRKKVXZJUSLX-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride

tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride (PubChem CID 174676513) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
PubChem CID174676513
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Nametert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
SMILESCOc1ccccc1CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-13(2,3)17-12(15)14-9-10-7-5-6-8-11(10)16-4;/h5-8H,9H2,1-4H3,(H,14,15);1H
InChIKeyHPDRKKVXZJUSLX-UHFFFAOYSA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
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tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
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tert-butyl N-[2-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]ethyl]carbamate
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tert-butyl N-[(4-carbonochloridoyl-2-methoxyphenyl)methyl]carbamate
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N-[(2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
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1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
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tert-butyl N-[3-[3-[[2-(2-methoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
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tert-butyl N-[3-[1-(2-methoxyphenyl)propan-2-ylamino]propyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride (CID 174676513) is tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride is COc1ccccc1CNC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride?
The InChIKey is HPDRKKVXZJUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.ClH/c1-13(2,3)17-12(15)14-9-10-7-5-6-8-11(10)16-4;/h5-8H,9H2,1-4H3,(H,14,15);1H.
What are the key properties of tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride?
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 174676513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).