1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea

C26H30N2O4 — CID 57139589

IUPAC1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea
SMILESCCC(CCc1cccc(OCc2ccccc2)c1O)NC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C26H30N2O4/c1-3-21(27-26(30)28-22-12-8-13-23(17-22)31-2)16-15-20-11-7-14-24(25(20)29)32-18-19-9-5-4-6-10-19/h4-14,17,21,29H,3,15-16,18H2,1-2H3,(H2,27,28,30)
InChIKeyJBHFFIANFNXALD-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.51
Rot. Bonds10

About 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea

1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea (PubChem CID 57139589) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea
PubChem CID57139589
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea
SMILESCCC(CCc1cccc(OCc2ccccc2)c1O)NC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C26H30N2O4/c1-3-21(27-26(30)28-22-12-8-13-23(17-22)31-2)16-15-20-11-7-14-24(25(20)29)32-18-19-9-5-4-6-10-19/h4-14,17,21,29H,3,15-16,18H2,1-2H3,(H2,27,28,30)
InChIKeyJBHFFIANFNXALD-UHFFFAOYSA-N
XLogP5.51
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-4-phenylbutanamide
CID 57111343
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110891041
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
[3-[[2-(2-hydroxy-3-phenylmethoxyphenyl)ethyl-propylcarbamoyl]-(2-methylbutyl)carbamoyl]phenyl]carbamic acid
CID 90968822
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea (CID 57139589) is 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea is CCC(CCc1cccc(OCc2ccccc2)c1O)NC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is JBHFFIANFNXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-3-21(27-26(30)28-22-12-8-13-23(17-22)31-2)16-15-20-11-7-14-24(25(20)29)32-18-19-9-5-4-6-10-19/h4-14,17,21,29H,3,15-16,18H2,1-2H3,(H2,27,28,30).
What are the key properties of 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea?
1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 434.54 g/mol, XLogP of 5.51, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 57139589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).