butyl N-[(4-hydroxyphenyl)methyl]carbamate

C12H17NO3 — CID 67634230

IUPACbutyl N-[(4-hydroxyphenyl)methyl]carbamate
SMILESCCCCOC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-2-3-8-16-12(15)13-9-10-4-6-11(14)7-5-10/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyFZFDSYCYLNDUCN-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.42
Rot. Bonds5

About butyl N-[(4-hydroxyphenyl)methyl]carbamate

butyl N-[(4-hydroxyphenyl)methyl]carbamate (PubChem CID 67634230) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is butyl N-[(4-hydroxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(4-hydroxyphenyl)methyl]carbamate
PubChem CID67634230
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namebutyl N-[(4-hydroxyphenyl)methyl]carbamate
SMILESCCCCOC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-2-3-8-16-12(15)13-9-10-4-6-11(14)7-5-10/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyFZFDSYCYLNDUCN-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octadecyl N-[2-(4-hydroxyphenoxy)ethyl]carbamate
CID 18183900
N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 112738600
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
CID 70253873
butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
CID 22382006
(1-aminododecylideneamino) 3-[4-[(butoxycarbonylamino)methyl]phenyl]propanoate
CID 91364896
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
butyl N-[(2-methylphenyl)methyl]carbamate
CID 70509703
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207

Frequently Asked Questions

What is the IUPAC name of butyl N-[(4-hydroxyphenyl)methyl]carbamate?
The IUPAC name of butyl N-[(4-hydroxyphenyl)methyl]carbamate (CID 67634230) is butyl N-[(4-hydroxyphenyl)methyl]carbamate.
What is the SMILES notation for butyl N-[(4-hydroxyphenyl)methyl]carbamate?
The canonical SMILES for butyl N-[(4-hydroxyphenyl)methyl]carbamate is CCCCOC(=O)NCc1ccc(O)cc1.
What is the InChIKey of butyl N-[(4-hydroxyphenyl)methyl]carbamate?
The InChIKey is FZFDSYCYLNDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-8-16-12(15)13-9-10-4-6-11(14)7-5-10/h4-7,14H,2-3,8-9H2,1H3,(H,13,15).
What are the key properties of butyl N-[(4-hydroxyphenyl)methyl]carbamate?
butyl N-[(4-hydroxyphenyl)methyl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(4-hydroxyphenyl)methyl]carbamate is sourced from PubChem (CID 67634230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).