1-(2-amino-4-ethoxycyclobutyl)-3-propylurea

C10H21N3O2 — CID 66197437

IUPAC1-(2-amino-4-ethoxycyclobutyl)-3-propylurea
SMILESCCCNC(=O)NC1C(N)CC1OCC
InChIInChI=1S/C10H21N3O2/c1-3-5-12-10(14)13-9-7(11)6-8(9)15-4-2/h7-9H,3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyDAESBJNDCAIDTF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.20
Rot. Bonds5

About 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea

1-(2-amino-4-ethoxycyclobutyl)-3-propylurea (PubChem CID 66197437) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-amino-4-ethoxycyclobutyl)-3-propylurea
PubChem CID66197437
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1-(2-amino-4-ethoxycyclobutyl)-3-propylurea
SMILESCCCNC(=O)NC1C(N)CC1OCC
InChIInChI=1S/C10H21N3O2/c1-3-5-12-10(14)13-9-7(11)6-8(9)15-4-2/h7-9H,3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyDAESBJNDCAIDTF-UHFFFAOYSA-N
XLogP0.20
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea?
The IUPAC name of 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea (CID 66197437) is 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea.
What is the SMILES notation for 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea?
The canonical SMILES for 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea is CCCNC(=O)NC1C(N)CC1OCC.
What is the InChIKey of 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea?
The InChIKey is DAESBJNDCAIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-5-12-10(14)13-9-7(11)6-8(9)15-4-2/h7-9H,3-6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea?
1-(2-amino-4-ethoxycyclobutyl)-3-propylurea has a molecular weight of 215.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-ethoxycyclobutyl)-3-propylurea is sourced from PubChem (CID 66197437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).