1-butan-2-yl-3-(2-methoxyphenyl)urea

C12H18N2O2 — CID 19167871

IUPAC1-butan-2-yl-3-(2-methoxyphenyl)urea
SMILESCCC(C)NC(=O)Nc1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-4-9(2)13-12(15)14-10-7-5-6-8-11(10)16-3/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyPEHHDRFSEAJZTO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.62
Rot. Bonds4

About 1-butan-2-yl-3-(2-methoxyphenyl)urea

1-butan-2-yl-3-(2-methoxyphenyl)urea (PubChem CID 19167871) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-methoxyphenyl)urea
PubChem CID19167871
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-butan-2-yl-3-(2-methoxyphenyl)urea
SMILESCCC(C)NC(=O)Nc1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-4-9(2)13-12(15)14-10-7-5-6-8-11(10)16-3/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyPEHHDRFSEAJZTO-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-methoxyphenyl)-3-pent-4-yn-2-ylurea
CID 115662879
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
1-butan-2-yl-3-(2-sulfanylphenyl)urea
CID 108886298
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-butan-2-yl-3-(2-methoxyphenyl)urea (CID 19167871) is 1-butan-2-yl-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(2-methoxyphenyl)urea is CCC(C)NC(=O)Nc1ccccc1OC.
What is the InChIKey of 1-butan-2-yl-3-(2-methoxyphenyl)urea?
The InChIKey is PEHHDRFSEAJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-9(2)13-12(15)14-10-7-5-6-8-11(10)16-3/h5-9H,4H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-butan-2-yl-3-(2-methoxyphenyl)urea?
1-butan-2-yl-3-(2-methoxyphenyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 19167871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).