benzyl N-(4-hydroxybutyl)carbamate

C12H17NO3 — CID 3366758

IUPACbenzyl N-(4-hydroxybutyl)carbamate
SMILESO=C(NCCCCO)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-5-4-8-13-12(15)16-10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,13,15)
InChIKeyBNFLPFDVXGOHJY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.69
Rot. Bonds6

About benzyl N-(4-hydroxybutyl)carbamate

benzyl N-(4-hydroxybutyl)carbamate (PubChem CID 3366758) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is benzyl N-(4-hydroxybutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-hydroxybutyl)carbamate
PubChem CID3366758
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namebenzyl N-(4-hydroxybutyl)carbamate
SMILESO=C(NCCCCO)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-5-4-8-13-12(15)16-10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,13,15)
InChIKeyBNFLPFDVXGOHJY-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.69
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

Benzyloxycarbonylglycine
CID 14349
4-(((Benzyloxy)carbonyl)amino)butanoic acid
CID 21184
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl piperazine-1-carboxylate
CID 643495
N-carbobenzyloxyalanine
CID 736104
6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CID 74758
N-Carbobenzoyl-DL-valine
CID 97743
Benzyl (2-oxopropyl)carbamate
CID 22747857
Leucine, N-carboxy-, N-benzyl ester, L-
CID 74840
N-Cbz-d-alanine
CID 70832
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
N-Benzyloxycarbonyl-beta-alanine
CID 75313

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-hydroxybutyl)carbamate?
The IUPAC name of benzyl N-(4-hydroxybutyl)carbamate (CID 3366758) is benzyl N-(4-hydroxybutyl)carbamate.
What is the SMILES notation for benzyl N-(4-hydroxybutyl)carbamate?
The canonical SMILES for benzyl N-(4-hydroxybutyl)carbamate is O=C(NCCCCO)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-hydroxybutyl)carbamate?
The InChIKey is BNFLPFDVXGOHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-9-5-4-8-13-12(15)16-10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,13,15).
What are the key properties of benzyl N-(4-hydroxybutyl)carbamate?
benzyl N-(4-hydroxybutyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-hydroxybutyl)carbamate is sourced from PubChem (CID 3366758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).