[(S)-(4-methoxyphenyl)-phenylmethyl]urea

C15H16N2O2 — CID 870966

IUPAC[(S)-(4-methoxyphenyl)-phenylmethyl]urea
SMILESCOc1ccc([C@@H](NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-13-9-7-12(8-10-13)14(17-15(16)18)11-5-3-2-4-6-11/h2-10,14H,1H3,(H3,16,17,18)/t14-/m0/s1
InChIKeyGIRIVQGBJUYZMF-AWEZNQCLSA-N
MW256.31 g/mol
LogP2.45
Rot. Bonds4

About [(S)-(4-methoxyphenyl)-phenylmethyl]urea

[(S)-(4-methoxyphenyl)-phenylmethyl]urea (PubChem CID 870966) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [(S)-(4-methoxyphenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name[(S)-(4-methoxyphenyl)-phenylmethyl]urea
PubChem CID870966
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[(S)-(4-methoxyphenyl)-phenylmethyl]urea
SMILESCOc1ccc([C@@H](NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-13-9-7-12(8-10-13)14(17-15(16)18)11-5-3-2-4-6-11/h2-10,14H,1H3,(H3,16,17,18)/t14-/m0/s1
InChIKeyGIRIVQGBJUYZMF-AWEZNQCLSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(4-methoxyphenyl)-phenylmethyl]-2,2-diphenylpropanamide
CID 5198788
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
CID 51950712
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406

Frequently Asked Questions

What is the IUPAC name of [(S)-(4-methoxyphenyl)-phenylmethyl]urea?
The IUPAC name of [(S)-(4-methoxyphenyl)-phenylmethyl]urea (CID 870966) is [(S)-(4-methoxyphenyl)-phenylmethyl]urea.
What is the SMILES notation for [(S)-(4-methoxyphenyl)-phenylmethyl]urea?
The canonical SMILES for [(S)-(4-methoxyphenyl)-phenylmethyl]urea is COc1ccc([C@@H](NC(N)=O)c2ccccc2)cc1.
What is the InChIKey of [(S)-(4-methoxyphenyl)-phenylmethyl]urea?
The InChIKey is GIRIVQGBJUYZMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-13-9-7-12(8-10-13)14(17-15(16)18)11-5-3-2-4-6-11/h2-10,14H,1H3,(H3,16,17,18)/t14-/m0/s1.
What are the key properties of [(S)-(4-methoxyphenyl)-phenylmethyl]urea?
[(S)-(4-methoxyphenyl)-phenylmethyl]urea has a molecular weight of 256.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(4-methoxyphenyl)-phenylmethyl]urea is sourced from PubChem (CID 870966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).