4-(2-methylpropoxymethoxyamino)butan-2-one

C9H19NO3 — CID 155042337

IUPAC4-(2-methylpropoxymethoxyamino)butan-2-one
SMILESCC(=O)CCNOCOCC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)6-12-7-13-10-5-4-9(3)11/h8,10H,4-7H2,1-3H3
InChIKeyLDRVZOIITXABBU-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.12
Rot. Bonds8

About 4-(2-methylpropoxymethoxyamino)butan-2-one

4-(2-methylpropoxymethoxyamino)butan-2-one (PubChem CID 155042337) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(2-methylpropoxymethoxyamino)butan-2-one.

Molecular Properties

Compound Name4-(2-methylpropoxymethoxyamino)butan-2-one
PubChem CID155042337
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-(2-methylpropoxymethoxyamino)butan-2-one
SMILESCC(=O)CCNOCOCC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)6-12-7-13-10-5-4-9(3)11/h8,10H,4-7H2,1-3H3
InChIKeyLDRVZOIITXABBU-UHFFFAOYSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methylpropoxymethoxyamino)butan-2-one 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

4-(ethoxyamino)butan-2-one
CID 130978764
methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
7-(2-methylpropoxy)heptan-2-one
CID 170366767
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate
CID 166736659
5-(2-methylpropoxyamino)pentanoic acid
CID 103261565
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
2-methylpropyl N-[2-(4-oxopentanoylamino)ethyl]carbamate
CID 108574950
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
N-(2-methylpropoxy)butanamide
CID 87986570
5-(4-methylpentoxy)pentan-2-one
CID 43793745
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxymethoxyamino)butan-2-one?
The IUPAC name of 4-(2-methylpropoxymethoxyamino)butan-2-one (CID 155042337) is 4-(2-methylpropoxymethoxyamino)butan-2-one.
What is the SMILES notation for 4-(2-methylpropoxymethoxyamino)butan-2-one?
The canonical SMILES for 4-(2-methylpropoxymethoxyamino)butan-2-one is CC(=O)CCNOCOCC(C)C.
What is the InChIKey of 4-(2-methylpropoxymethoxyamino)butan-2-one?
The InChIKey is LDRVZOIITXABBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(2)6-12-7-13-10-5-4-9(3)11/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-(2-methylpropoxymethoxyamino)butan-2-one?
4-(2-methylpropoxymethoxyamino)butan-2-one has a molecular weight of 189.25 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxymethoxyamino)butan-2-one is sourced from PubChem (CID 155042337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).