1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea

C20H23N3O2 — CID 18575212

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(C)c1C
InChIInChI=1S/C20H23N3O2/c1-14-8-6-10-17(15(14)2)23(19-12-7-13-21-19)20(24)22-16-9-4-5-11-18(16)25-3/h4-6,8-11H,7,12-13H2,1-3H3,(H,22,24)
InChIKeyULAQDJAOBLNSIP-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.54
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea

1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea (PubChem CID 18575212) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea
PubChem CID18575212
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(C)c1C
InChIInChI=1S/C20H23N3O2/c1-14-8-6-10-17(15(14)2)23(19-12-7-13-21-19)20(24)22-16-9-4-5-11-18(16)25-3/h4-6,8-11H,7,12-13H2,1-3H3,(H,22,24)
InChIKeyULAQDJAOBLNSIP-UHFFFAOYSA-N
XLogP4.54
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea (CID 18575212) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(C)c1C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is ULAQDJAOBLNSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-6-10-17(15(14)2)23(19-12-7-13-21-19)20(24)22-16-9-4-5-11-18(16)25-3/h4-6,8-11H,7,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea?
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 337.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 18575212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).