tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate

C13H19NO3 — CID 25187106

IUPACtert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)11-7-5-10(9-15)6-8-11/h5-8,15H,9H2,1-4H3
InChIKeyUDNLKEJCLRKWKY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate

tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate (PubChem CID 25187106) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
PubChem CID25187106
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)11-7-5-10(9-15)6-8-11/h5-8,15H,9H2,1-4H3
InChIKeyUDNLKEJCLRKWKY-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
2-[methyl-[[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]methyl]amino]acetic acid
CID 89485002
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
CID 145420366
tert-butyl N-(3,4-difluorophenyl)-N-[2-[4-(hydroxymethyl)-N-methylanilino]-2-oxoethyl]carbamate
CID 70028761
tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
CID 153425981
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 90688542
ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate (CID 25187106) is tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate?
The InChIKey is UDNLKEJCLRKWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)11-7-5-10(9-15)6-8-11/h5-8,15H,9H2,1-4H3.
What are the key properties of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate?
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 25187106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).