1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea

C11H23N3O2 — CID 165450302

IUPAC1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(CC)CNCCO1
InChIInChI=1S/C11H23N3O2/c1-3-5-13-10(15)14-9-11(4-2)8-12-6-7-16-11/h12H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyOLSVISWEIJXSSF-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.46
Rot. Bonds5

About 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea

1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea (PubChem CID 165450302) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea
PubChem CID165450302
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(CC)CNCCO1
InChIInChI=1S/C11H23N3O2/c1-3-5-13-10(15)14-9-11(4-2)8-12-6-7-16-11/h12H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyOLSVISWEIJXSSF-UHFFFAOYSA-N
XLogP0.46
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea (CID 165450302) is 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea is CCCNC(=O)NCC1(CC)CNCCO1.
What is the InChIKey of 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea?
The InChIKey is OLSVISWEIJXSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-5-13-10(15)14-9-11(4-2)8-12-6-7-16-11/h12H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea?
1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea has a molecular weight of 229.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea is sourced from PubChem (CID 165450302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).