1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea

C20H26N2O2 — CID 42928249

IUPAC1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCOc1ccc(C)cc1C(C)NC(=O)NC(C)c1ccccc1C
InChIInChI=1S/C20H26N2O2/c1-13-10-11-19(24-5)18(12-13)16(4)22-20(23)21-15(3)17-9-7-6-8-14(17)2/h6-12,15-16H,1-5H3,(H2,21,22,23)
InChIKeyVJQZPTABELPTFB-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.43
Rot. Bonds5

About 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea

1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea (PubChem CID 42928249) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
PubChem CID42928249
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCOc1ccc(C)cc1C(C)NC(=O)NC(C)c1ccccc1C
InChIInChI=1S/C20H26N2O2/c1-13-10-11-19(24-5)18(12-13)16(4)22-20(23)21-15(3)17-9-7-6-8-14(17)2/h6-12,15-16H,1-5H3,(H2,21,22,23)
InChIKeyVJQZPTABELPTFB-UHFFFAOYSA-N
XLogP4.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea (CID 42928249) is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea is COc1ccc(C)cc1C(C)NC(=O)NC(C)c1ccccc1C.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The InChIKey is VJQZPTABELPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-10-11-19(24-5)18(12-13)16(4)22-20(23)21-15(3)17-9-7-6-8-14(17)2/h6-12,15-16H,1-5H3,(H2,21,22,23).
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 42928249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).