1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one

C11H21N3O2 — CID 80581616

IUPAC1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(O)CNCC)c1=O
InChIInChI=1S/C11H21N3O2/c1-3-5-13-6-7-14(11(13)16)9-10(15)8-12-4-2/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyQGXAOMONGMKCGP-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.03
Rot. Bonds7

About 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one

1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one (PubChem CID 80581616) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one
PubChem CID80581616
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(O)CNCC)c1=O
InChIInChI=1S/C11H21N3O2/c1-3-5-13-6-7-14(11(13)16)9-10(15)8-12-4-2/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyQGXAOMONGMKCGP-UHFFFAOYSA-N
XLogP0.03
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one (CID 80581616) is 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one is CCCn1ccn(CC(O)CNCC)c1=O.
What is the InChIKey of 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one?
The InChIKey is QGXAOMONGMKCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-5-13-6-7-14(11(13)16)9-10(15)8-12-4-2/h6-7,10,12,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one?
1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-2-hydroxypropyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).