butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate

C13H19NO3 — CID 22382006

IUPACbutyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
SMILESCCCCOC(=O)NC(C)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-3-4-9-17-13(16)14-10(2)11-5-7-12(15)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyUYGWTRAFSLSLEP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.98
Rot. Bonds5

About butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate

butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate (PubChem CID 22382006) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
PubChem CID22382006
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namebutyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
SMILESCCCCOC(=O)NC(C)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-3-4-9-17-13(16)14-10(2)11-5-7-12(15)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyUYGWTRAFSLSLEP-UHFFFAOYSA-N
XLogP2.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.98
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

butyl N-(1-phenylethyl)carbamate
CID 571821
4-[1-(butoxycarbonylamino)ethyl]benzoic acid
CID 151330603
4-[(1R)-1-(butoxycarbonylamino)ethyl]benzoic acid
CID 91012324
butyl N-[1-(3,4-dihydroxyphenyl)ethyl]carbamate
CID 69048784
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
CID 70253873
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propaneperoxoate
CID 141436930
butyl N-(1-aminoethyl)carbamate
CID 87930052
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
1-[1-(4-butoxyphenyl)ethyl]-3-hydroxyurea
CID 19804452
butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate;methane
CID 159769667

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate (CID 22382006) is butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate is CCCCOC(=O)NC(C)c1ccc(O)cc1.
What is the InChIKey of butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is UYGWTRAFSLSLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-4-9-17-13(16)14-10(2)11-5-7-12(15)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate?
butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 22382006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).