1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea

C24H27N3O3 — CID 42697255

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C24H27N3O3/c1-18-8-4-5-10-21(18)26-24(28)27(15-13-20-9-6-7-14-25-20)17-19-11-12-22(29-2)23(16-19)30-3/h4-12,14,16H,13,15,17H2,1-3H3,(H,26,28)
InChIKeyQNJIZWPSRFXUAY-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.68
Rot. Bonds8

About 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea (PubChem CID 42697255) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
PubChem CID42697255
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C24H27N3O3/c1-18-8-4-5-10-21(18)26-24(28)27(15-13-20-9-6-7-14-25-20)17-19-11-12-22(29-2)23(16-19)30-3/h4-12,14,16H,13,15,17H2,1-3H3,(H,26,28)
InChIKeyQNJIZWPSRFXUAY-UHFFFAOYSA-N
XLogP4.68
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
CID 42723895
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
3-(5-chloro-2-methoxyphenyl)-1-(2-pyridin-2-ylethyl)-1-(pyridin-3-ylmethyl)urea
CID 166228293
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708372
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 42709458
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-[butyl-[(2-methylphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4004398
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725112
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3608497

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea (CID 42697255) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea is COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is QNJIZWPSRFXUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-8-4-5-10-21(18)26-24(28)27(15-13-20-9-6-7-14-25-20)17-19-11-12-22(29-2)23(16-19)30-3/h4-12,14,16H,13,15,17H2,1-3H3,(H,26,28).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 405.50 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 42697255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).