N-[(2-methylpropan-2-yl)oxymethyl]formamide

C6H13NO2 — CID 57104660

IUPACN-[(2-methylpropan-2-yl)oxymethyl]formamide
SMILESCC(C)(C)OCNC=O
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5-7-4-8/h4H,5H2,1-3H3,(H,7,8)
InChIKeyMERAAWNCIPKAHL-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.50
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxymethyl]formamide

N-[(2-methylpropan-2-yl)oxymethyl]formamide (PubChem CID 57104660) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxymethyl]formamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxymethyl]formamide
PubChem CID57104660
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-[(2-methylpropan-2-yl)oxymethyl]formamide
SMILESCC(C)(C)OCNC=O
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5-7-4-8/h4H,5H2,1-3H3,(H,7,8)
InChIKeyMERAAWNCIPKAHL-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(2-methylpropan-2-yl)oxymethyl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxymethyl]formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxymethyl]formamide (CID 57104660) is N-[(2-methylpropan-2-yl)oxymethyl]formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxymethyl]formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxymethyl]formamide is CC(C)(C)OCNC=O.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxymethyl]formamide?
The InChIKey is MERAAWNCIPKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)9-5-7-4-8/h4H,5H2,1-3H3,(H,7,8).
What are the key properties of N-[(2-methylpropan-2-yl)oxymethyl]formamide?
N-[(2-methylpropan-2-yl)oxymethyl]formamide has a molecular weight of 131.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxymethyl]formamide is sourced from PubChem (CID 57104660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).