1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea

C19H25N3O3 — CID 119066854

IUPAC1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea
SMILESCOC(C)(C)CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1
InChIInChI=1S/C19H25N3O3/c1-19(2,25-3)14-21-18(24)22(13-16-5-4-10-20-11-16)12-15-6-8-17(23)9-7-15/h4-11,23H,12-14H2,1-3H3,(H,21,24)
InChIKeyJOKXLRLGBPEWQW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.92
Rot. Bonds7

About 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea

1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 119066854) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID119066854
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea
SMILESCOC(C)(C)CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1
InChIInChI=1S/C19H25N3O3/c1-19(2,25-3)14-21-18(24)22(13-16-5-4-10-20-11-16)12-15-6-8-17(23)9-7-15/h4-11,23H,12-14H2,1-3H3,(H,21,24)
InChIKeyJOKXLRLGBPEWQW-UHFFFAOYSA-N
XLogP2.92
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-hydroxyphenyl)methyl]-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 126431701
1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115667786
methyl 5-[tert-butyl(pyridin-3-ylmethyl)carbamoyl]furan-2-carboxylate
CID 99839959
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111607472
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea (CID 119066854) is 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea is COC(C)(C)CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is JOKXLRLGBPEWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,25-3)14-21-18(24)22(13-16-5-4-10-20-11-16)12-15-6-8-17(23)9-7-15/h4-11,23H,12-14H2,1-3H3,(H,21,24).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea?
1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 119066854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).