N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide

C11H22N2O3 — CID 104760875

IUPACN-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
SMILESCCNC(=O)CCNCC1(OC)CCOC1
InChIInChI=1S/C11H22N2O3/c1-3-13-10(14)4-6-12-8-11(15-2)5-7-16-9-11/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyLVHNSPRPVHTIKB-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.09
Rot. Bonds7

About N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide

N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide (PubChem CID 104760875) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
PubChem CID104760875
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
SMILESCCNC(=O)CCNCC1(OC)CCOC1
InChIInChI=1S/C11H22N2O3/c1-3-13-10(14)4-6-12-8-11(15-2)5-7-16-9-11/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyLVHNSPRPVHTIKB-UHFFFAOYSA-N
XLogP-0.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide (CID 104760875) is N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide is CCNC(=O)CCNCC1(OC)CCOC1.
What is the InChIKey of N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
The InChIKey is LVHNSPRPVHTIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-13-10(14)4-6-12-8-11(15-2)5-7-16-9-11/h12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide?
N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide has a molecular weight of 230.31 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide is sourced from PubChem (CID 104760875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).