1,1-diethyl-3-(3-methoxyphenyl)urea

C12H18N2O2 — CID 5199218

IUPAC1,1-diethyl-3-(3-methoxyphenyl)urea
SMILESCCN(CC)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)13-10-7-6-8-11(9-10)16-3/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyIGJPCCKVPXYJBU-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.57
Rot. Bonds4

About 1,1-diethyl-3-(3-methoxyphenyl)urea

1,1-diethyl-3-(3-methoxyphenyl)urea (PubChem CID 5199218) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-methoxyphenyl)urea
PubChem CID5199218
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,1-diethyl-3-(3-methoxyphenyl)urea
SMILESCCN(CC)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)13-10-7-6-8-11(9-10)16-3/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyIGJPCCKVPXYJBU-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3-methoxyphenyl)urea?
The IUPAC name of 1,1-diethyl-3-(3-methoxyphenyl)urea (CID 5199218) is 1,1-diethyl-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-methoxyphenyl)urea is CCN(CC)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1,1-diethyl-3-(3-methoxyphenyl)urea?
The InChIKey is IGJPCCKVPXYJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)13-10-7-6-8-11(9-10)16-3/h6-9H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-(3-methoxyphenyl)urea?
1,1-diethyl-3-(3-methoxyphenyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 5199218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).