1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea

C18H23N3O2 — CID 138014300

IUPAC1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)Nc2c(C)cncc2C)ccc1C
InChIInChI=1S/C18H23N3O2/c1-12-5-6-15(9-16(12)23-4)7-8-20-18(22)21-17-13(2)10-19-11-14(17)3/h5-6,9-11H,7-8H2,1-4H3,(H2,19,20,21,22)
InChIKeyOCXQCAWEOVMGBE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.38
Rot. Bonds5

About 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea

1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea (PubChem CID 138014300) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
PubChem CID138014300
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)Nc2c(C)cncc2C)ccc1C
InChIInChI=1S/C18H23N3O2/c1-12-5-6-15(9-16(12)23-4)7-8-20-18(22)21-17-13(2)10-19-11-14(17)3/h5-6,9-11H,7-8H2,1-4H3,(H2,19,20,21,22)
InChIKeyOCXQCAWEOVMGBE-UHFFFAOYSA-N
XLogP3.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685641
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
2-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185445
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291243
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea (CID 138014300) is 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea is COc1cc(CCNC(=O)Nc2c(C)cncc2C)ccc1C.
What is the InChIKey of 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea?
The InChIKey is OCXQCAWEOVMGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-5-6-15(9-16(12)23-4)7-8-20-18(22)21-17-13(2)10-19-11-14(17)3/h5-6,9-11H,7-8H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea?
1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea is sourced from PubChem (CID 138014300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).