1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one

C11H21N3O2 — CID 107506359

IUPAC1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(COC)NC)c1=O
InChIInChI=1S/C11H21N3O2/c1-4-5-13-6-7-14(11(13)15)8-10(12-2)9-16-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyBYZWINYJZNTIDI-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.29
Rot. Bonds7

About 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one

1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one (PubChem CID 107506359) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
PubChem CID107506359
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(COC)NC)c1=O
InChIInChI=1S/C11H21N3O2/c1-4-5-13-6-7-14(11(13)15)8-10(12-2)9-16-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyBYZWINYJZNTIDI-UHFFFAOYSA-N
XLogP0.29
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-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

1-[2-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581786
1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione
CID 107506199
1-[3-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581600
1-[4-(methylamino)hexyl]-3-propylimidazol-2-one
CID 106800521
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-(2-methylbutyl)-3-propylimidazol-2-one
CID 116624704
1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
CID 80581244
1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione
CID 107506202
1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one
CID 80581732
1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581733
1-[2-(bromomethyl)pentyl]-3-propylimidazol-2-one
CID 80580486
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one (CID 107506359) is 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one is CCCn1ccn(CC(COC)NC)c1=O.
What is the InChIKey of 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one?
The InChIKey is BYZWINYJZNTIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-5-13-6-7-14(11(13)15)8-10(12-2)9-16-3/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one?
1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one is sourced from PubChem (CID 107506359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).