N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide

C9H17NO3 — CID 15749123

IUPACN-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide
SMILESCCOC1(OCN(C)C(C)=O)CC1
InChIInChI=1S/C9H17NO3/c1-4-12-9(5-6-9)13-7-10(3)8(2)11/h4-7H2,1-3H3
InChIKeyAJMYVSGQGODWIL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.97
Rot. Bonds5

About N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide

N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide (PubChem CID 15749123) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide
PubChem CID15749123
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide
SMILESCCOC1(OCN(C)C(C)=O)CC1
InChIInChI=1S/C9H17NO3/c1-4-12-9(5-6-9)13-7-10(3)8(2)11/h4-7H2,1-3H3
InChIKeyAJMYVSGQGODWIL-UHFFFAOYSA-N
XLogP0.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide?
The IUPAC name of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide (CID 15749123) is N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide.
What is the SMILES notation for N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide?
The canonical SMILES for N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide is CCOC1(OCN(C)C(C)=O)CC1.
What is the InChIKey of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide?
The InChIKey is AJMYVSGQGODWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-12-9(5-6-9)13-7-10(3)8(2)11/h4-7H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide?
N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide has a molecular weight of 187.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylacetamide is sourced from PubChem (CID 15749123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).