1-phenyl-3-propan-2-ylurea

C10H14N2O — CID 29852

IUPAC1-phenyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
InChIKeyCIBUQXSYGPGEGX-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.22
Rot. Bonds2

About 1-phenyl-3-propan-2-ylurea

1-phenyl-3-propan-2-ylurea (PubChem CID 29852) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-phenyl-3-propan-2-ylurea
PubChem CID29852
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-phenyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
InChIKeyCIBUQXSYGPGEGX-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Monuron
CID 8800
Formanilide
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Fenuron
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CID 13032
Desmethylfluometuron
CID 98771
Monomethylmonuron
CID 79309
Phenylurea
CID 6145
N-Methyl-N',N'-diphenylurea
CID 25711
4-Fluorophenylurea
CID 12612
1-Allyl-3-phenyl-2-thiourea
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-ylurea?
The IUPAC name of 1-phenyl-3-propan-2-ylurea (CID 29852) is 1-phenyl-3-propan-2-ylurea.
What is the SMILES notation for 1-phenyl-3-propan-2-ylurea?
The canonical SMILES for 1-phenyl-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-propan-2-ylurea?
The InChIKey is CIBUQXSYGPGEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13).
What are the key properties of 1-phenyl-3-propan-2-ylurea?
1-phenyl-3-propan-2-ylurea has a molecular weight of 178.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-ylurea is sourced from PubChem (CID 29852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).