1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea

C17H20N2O2 — CID 110755142

IUPAC1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(2)18-17(20)19-15-8-10-16(11-9-15)21-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,20)
InChIKeyXUVAHGKCTSMOJK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea

1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea (PubChem CID 110755142) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
PubChem CID110755142
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(2)18-17(20)19-15-8-10-16(11-9-15)21-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,20)
InChIKeyXUVAHGKCTSMOJK-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 124735239
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545
[(2R)-3-carboxy-2-[(4-phenylmethoxyphenyl)carbamoylamino]propyl]-trimethylazanium
CID 25065916
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea (CID 110755142) is 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea?
The InChIKey is XUVAHGKCTSMOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(2)18-17(20)19-15-8-10-16(11-9-15)21-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea?
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea has a molecular weight of 284.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 110755142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).