1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea

C22H22N2O3 — CID 129012475

IUPAC1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
SMILESCOc1cc(CN(C(=O)Nc2ccccc2)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C22H22N2O3/c1-16-8-11-19(12-9-16)24(22(26)23-18-6-4-3-5-7-18)15-17-10-13-20(25)21(14-17)27-2/h3-14,25H,15H2,1-2H3,(H,23,26)
InChIKeyLBEQPLYZNJQNMD-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.95
Rot. Bonds5

About 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea

1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea (PubChem CID 129012475) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
PubChem CID129012475
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
SMILESCOc1cc(CN(C(=O)Nc2ccccc2)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C22H22N2O3/c1-16-8-11-19(12-9-16)24(22(26)23-18-6-4-3-5-7-18)15-17-10-13-20(25)21(14-17)27-2/h3-14,25H,15H2,1-2H3,(H,23,26)
InChIKeyLBEQPLYZNJQNMD-UHFFFAOYSA-N
XLogP4.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea
CID 129012477
1-(anthracen-9-ylmethyl)-1-(4-methylphenyl)-3-phenylurea
CID 42657103
4-[(N-benzylanilino)methyl]-2-methoxyphenol
CID 174576798
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)thiourea
CID 1169929
(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
CID 88959300
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42708378
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133497372
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea?
The IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea (CID 129012475) is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea is COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(C)cc2)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea?
The InChIKey is LBEQPLYZNJQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16-8-11-19(12-9-16)24(22(26)23-18-6-4-3-5-7-18)15-17-10-13-20(25)21(14-17)27-2/h3-14,25H,15H2,1-2H3,(H,23,26).
What are the key properties of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea?
1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea has a molecular weight of 362.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea is sourced from PubChem (CID 129012475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).