1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea

C16H18N2O2 — CID 28958845

IUPAC1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
SMILESCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12(13-8-10-15(20-2)11-9-13)17-16(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyAUIJMHGJNKKVIV-GFCCVEGCSA-N
MW270.33 g/mol
LogP3.58
Rot. Bonds4

About 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea

1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea (PubChem CID 28958845) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
PubChem CID28958845
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
SMILESCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12(13-8-10-15(20-2)11-9-13)17-16(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyAUIJMHGJNKKVIV-GFCCVEGCSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-[1-(4-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886327
4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
CID 55840868
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
3-(4-methoxyphenyl)sulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55729504
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 60736302
1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea
CID 108889141

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea (CID 28958845) is 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea is COc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea?
The InChIKey is AUIJMHGJNKKVIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(13-8-10-15(20-2)11-9-13)17-16(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,17,18,19)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea?
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea has a molecular weight of 270.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 28958845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).