1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea

C13H26N2O2 — CID 75507542

IUPAC1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea
SMILESCCN(C(=O)N(C)CC1CCCCO1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(11(2)3)13(16)14(4)10-12-8-6-7-9-17-12/h11-12H,5-10H2,1-4H3
InChIKeyQHBYICHUCUHFNO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.34
Rot. Bonds4

About 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea

1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea (PubChem CID 75507542) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea
PubChem CID75507542
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea
SMILESCCN(C(=O)N(C)CC1CCCCO1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(11(2)3)13(16)14(4)10-12-8-6-7-9-17-12/h11-12H,5-10H2,1-4H3
InChIKeyQHBYICHUCUHFNO-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea?
The IUPAC name of 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea (CID 75507542) is 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea?
The canonical SMILES for 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea is CCN(C(=O)N(C)CC1CCCCO1)C(C)C.
What is the InChIKey of 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea?
The InChIKey is QHBYICHUCUHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-15(11(2)3)13(16)14(4)10-12-8-6-7-9-17-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea?
1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea has a molecular weight of 242.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-3-(oxan-2-ylmethyl)-1-propan-2-ylurea is sourced from PubChem (CID 75507542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).