N-butan-2-yl-N-(2-hydroxyethyl)formamide

C7H15NO2 — CID 87322466

IUPACN-butan-2-yl-N-(2-hydroxyethyl)formamide
SMILESCCC(C)N(C=O)CCO
InChIInChI=1S/C7H15NO2/c1-3-7(2)8(6-10)4-5-9/h6-7,9H,3-5H2,1-2H3
InChIKeyMDGGAJLGIMVUNU-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.24
Rot. Bonds5

About N-butan-2-yl-N-(2-hydroxyethyl)formamide

N-butan-2-yl-N-(2-hydroxyethyl)formamide (PubChem CID 87322466) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-hydroxyethyl)formamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-hydroxyethyl)formamide
PubChem CID87322466
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-butan-2-yl-N-(2-hydroxyethyl)formamide
SMILESCCC(C)N(C=O)CCO
InChIInChI=1S/C7H15NO2/c1-3-7(2)8(6-10)4-5-9/h6-7,9H,3-5H2,1-2H3
InChIKeyMDGGAJLGIMVUNU-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-hydroxyethyl)formamide?
The IUPAC name of N-butan-2-yl-N-(2-hydroxyethyl)formamide (CID 87322466) is N-butan-2-yl-N-(2-hydroxyethyl)formamide.
What is the SMILES notation for N-butan-2-yl-N-(2-hydroxyethyl)formamide?
The canonical SMILES for N-butan-2-yl-N-(2-hydroxyethyl)formamide is CCC(C)N(C=O)CCO.
What is the InChIKey of N-butan-2-yl-N-(2-hydroxyethyl)formamide?
The InChIKey is MDGGAJLGIMVUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-7(2)8(6-10)4-5-9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-butan-2-yl-N-(2-hydroxyethyl)formamide?
N-butan-2-yl-N-(2-hydroxyethyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-hydroxyethyl)formamide is sourced from PubChem (CID 87322466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).