N-(4-hydroxybutyl)-N-phenylmethoxyformamide

C12H17NO3 — CID 87139283

IUPACN-(4-hydroxybutyl)-N-phenylmethoxyformamide
SMILESO=CN(CCCCO)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-5-4-8-13(11-15)16-10-12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-10H2
InChIKeyRFZLHGCWDVRODK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds8

About N-(4-hydroxybutyl)-N-phenylmethoxyformamide

N-(4-hydroxybutyl)-N-phenylmethoxyformamide (PubChem CID 87139283) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-N-phenylmethoxyformamide
PubChem CID87139283
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(4-hydroxybutyl)-N-phenylmethoxyformamide
SMILESO=CN(CCCCO)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-5-4-8-13(11-15)16-10-12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-10H2
InChIKeyRFZLHGCWDVRODK-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-N-phenylmethoxyformamide?
The IUPAC name of N-(4-hydroxybutyl)-N-phenylmethoxyformamide (CID 87139283) is N-(4-hydroxybutyl)-N-phenylmethoxyformamide.
What is the SMILES notation for N-(4-hydroxybutyl)-N-phenylmethoxyformamide?
The canonical SMILES for N-(4-hydroxybutyl)-N-phenylmethoxyformamide is O=CN(CCCCO)OCc1ccccc1.
What is the InChIKey of N-(4-hydroxybutyl)-N-phenylmethoxyformamide?
The InChIKey is RFZLHGCWDVRODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-9-5-4-8-13(11-15)16-10-12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-10H2.
What are the key properties of N-(4-hydroxybutyl)-N-phenylmethoxyformamide?
N-(4-hydroxybutyl)-N-phenylmethoxyformamide has a molecular weight of 223.27 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-N-phenylmethoxyformamide is sourced from PubChem (CID 87139283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).