1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea

C21H23N3O2 — CID 56505146

IUPAC1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESCc1ccccc1OCCN(C)C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C21H23N3O2/c1-17-8-3-4-11-20(17)26-15-14-23(2)21(25)22-18-9-7-10-19(16-18)24-12-5-6-13-24/h3-13,16H,14-15H2,1-2H3,(H,22,25)
InChIKeyKYZCGBDOGWAXBJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.33
Rot. Bonds6

About 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea

1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea (PubChem CID 56505146) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea
PubChem CID56505146
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESCc1ccccc1OCCN(C)C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C21H23N3O2/c1-17-8-3-4-11-20(17)26-15-14-23(2)21(25)22-18-9-7-10-19(16-18)24-12-5-6-13-24/h3-13,16H,14-15H2,1-2H3,(H,22,25)
InChIKeyKYZCGBDOGWAXBJ-UHFFFAOYSA-N
XLogP4.33
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55698026
3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 47015060
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55697871
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
methyl 3-[2-[3-[[2-(2-fluorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]ethynyl]benzoate
CID 55740061

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea (CID 56505146) is 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea is Cc1ccccc1OCCN(C)C(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea?
The InChIKey is KYZCGBDOGWAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-17-8-3-4-11-20(17)26-15-14-23(2)21(25)22-18-9-7-10-19(16-18)24-12-5-6-13-24/h3-13,16H,14-15H2,1-2H3,(H,22,25).
What are the key properties of 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea?
1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea has a molecular weight of 349.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 56505146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).