1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea

C18H22N2O3 — CID 4995213

IUPAC1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-12(2)13-5-7-14(8-6-13)19-18(21)20-15-9-10-16(22-3)17(11-15)23-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyDLAFFKUZKDLYEE-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.47
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea

1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 4995213) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID4995213
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-12(2)13-5-7-14(8-6-13)19-18(21)20-15-9-10-16(22-3)17(11-15)23-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyDLAFFKUZKDLYEE-UHFFFAOYSA-N
XLogP4.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1-(3,4-dimethoxyphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675491
5-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109198682
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8922979
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2405063
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109003078
(3,4-dimethoxyphenyl)urea
CID 21197430

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea (CID 4995213) is 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is DLAFFKUZKDLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)13-5-7-14(8-6-13)19-18(21)20-15-9-10-16(22-3)17(11-15)23-4/h5-12H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea?
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 314.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 4995213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).