1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C19H24N2O4 — CID 60543673

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-23-16-7-4-14(5-8-16)10-11-20-19(22)21-13-15-6-9-17(24-2)12-18(15)25-3/h4-9,12H,10-11,13H2,1-3H3,(H2,20,21,22)
InChIKeyIHYOGHWNQZUOPS-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.75
Rot. Bonds8

About 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 60543673) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID60543673
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-23-16-7-4-14(5-8-16)10-11-20-19(22)21-13-15-6-9-17(24-2)12-18(15)25-3/h4-9,12H,10-11,13H2,1-3H3,(H2,20,21,22)
InChIKeyIHYOGHWNQZUOPS-UHFFFAOYSA-N
XLogP2.75
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trimethoxyphenyl)acetamide
CID 134090189
(2,4-dimethoxyphenyl)methylurea
CID 53362457
3-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66164937
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 60543673) is 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NCc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is IHYOGHWNQZUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-16-7-4-14(5-8-16)10-11-20-19(22)21-13-15-6-9-17(24-2)12-18(15)25-3/h4-9,12H,10-11,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 344.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 60543673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).