tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate

C14H21NO4 — CID 167192366

IUPACtert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(OCCO)c1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-10-11-5-4-6-12(9-11)18-8-7-16/h4-6,9,16H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyCSNXLJLLLPAQDN-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.08
Rot. Bonds5

About tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate

tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate (PubChem CID 167192366) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
PubChem CID167192366
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(OCCO)c1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-10-11-5-4-6-12(9-11)18-8-7-16/h4-6,9,16H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyCSNXLJLLLPAQDN-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138586671
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tert-butyl N-[2-[[N-[(3-butoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
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2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
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tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
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tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
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tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
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[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate (CID 167192366) is tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(OCCO)c1.
What is the InChIKey of tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate?
The InChIKey is CSNXLJLLLPAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-10-11-5-4-6-12(9-11)18-8-7-16/h4-6,9,16H,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate?
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 2.08, 5 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-hydroxyethoxy)phenyl]methyl]carbamate is sourced from PubChem (CID 167192366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).