N-butyl-N-(2-hydroxyethyl)formamide

C7H15NO2 — CID 11389460

IUPACN-butyl-N-(2-hydroxyethyl)formamide
SMILESCCCCN(C=O)CCO
InChIInChI=1S/C7H15NO2/c1-2-3-4-8(7-10)5-6-9/h7,9H,2-6H2,1H3
InChIKeyQMRPBJIZVBTURS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.24
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)formamide

N-butyl-N-(2-hydroxyethyl)formamide (PubChem CID 11389460) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)formamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)formamide
PubChem CID11389460
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-butyl-N-(2-hydroxyethyl)formamide
SMILESCCCCN(C=O)CCO
InChIInChI=1S/C7H15NO2/c1-2-3-4-8(7-10)5-6-9/h7,9H,2-6H2,1H3
InChIKeyQMRPBJIZVBTURS-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-N-(2-hydroxyethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Bis(2-hydroxyethyl)formamide
CID 91333
N-Ethyl-N-(1-hydroxyethyl)formamide
CID 20086843
N-(2-Hydroxyethyl)-N-methylformamide
CID 74120
N-bis(2-hydroxyethyl)propanamide
CID 112269
N-(2-hydroxyethyl)-N-methylpropionamide
CID 19991879
Formyl-(2-hydroxyethyl)-dimethylazanium
CID 20084581
N-ethyl-N-(2-hydroxyethyl)formamide
CID 23277870
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)formamide
CID 143045920
N-(2-hydroxypropyl)-N-methylformamide
CID 3569560
N-(2-hydroxyethyl)-N-propylformamide
CID 12591460
N-butyl-N-(hydroxymethyl)formamide
CID 13163680
N-Butyl-2-hydroxy-N-methylacetamide
CID 13241437

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)formamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)formamide (CID 11389460) is N-butyl-N-(2-hydroxyethyl)formamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)formamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)formamide is CCCCN(C=O)CCO.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)formamide?
The InChIKey is QMRPBJIZVBTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-4-8(7-10)5-6-9/h7,9H,2-6H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)formamide?
N-butyl-N-(2-hydroxyethyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)formamide is sourced from PubChem (CID 11389460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).