tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate

C16H23NO3 — CID 153425981

IUPACtert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1ccc(CO)cc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(10-12-4-5-12)14-8-6-13(11-18)7-9-14/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyYFPUXEKPZNGMAX-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.33
Rot. Bonds4

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

tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate (PubChem CID 153425981) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
PubChem CID153425981
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1ccc(CO)cc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(10-12-4-5-12)14-8-6-13(11-18)7-9-14/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyYFPUXEKPZNGMAX-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-(3-bromo-5-methoxyphenyl)-N-(cyclopropylmethyl)carbamate
CID 162369960
tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate
CID 23577314
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 90688542
tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate
CID 154776228
tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
CID 131735467
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-pyridin-4-ylcarbamate
CID 23577316
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
tert-butyl N-(3,4-difluorophenyl)-N-[2-[4-(hydroxymethyl)-N-methylanilino]-2-oxoethyl]carbamate
CID 70028761
tert-butyl 4-[(4-chlorophenyl)-(cyclopropylmethyl)carbamoyl]piperidine-1-carboxylate
CID 118602708

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate (CID 153425981) is tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate is CC(C)(C)OC(=O)N(CC1CC1)c1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate?
The InChIKey is YFPUXEKPZNGMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(10-12-4-5-12)14-8-6-13(11-18)7-9-14/h6-9,12,18H,4-5,10-11H2,1-3H3.
What are the key properties of tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate?
tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 153425981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).