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

C19H21N3O2 — CID 18575211

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea
SMILESCOc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(C)cc1
InChIInChI=1S/C19H21N3O2/c1-14-9-11-15(12-10-14)22(18-8-5-13-20-18)19(23)21-16-6-3-4-7-17(16)24-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,21,23)
InChIKeyCFXRWRCRAJCMKF-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.23
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea (PubChem CID 18575211) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea
PubChem CID18575211
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea
SMILESCOc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(C)cc1
InChIInChI=1S/C19H21N3O2/c1-14-9-11-15(12-10-14)22(18-8-5-13-20-18)19(23)21-16-6-3-4-7-17(16)24-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,21,23)
InChIKeyCFXRWRCRAJCMKF-UHFFFAOYSA-N
XLogP4.23
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea
CID 18575271
1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea
CID 30596784
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
N-(2-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 550974
2-(N-acetyl-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113167779
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
CID 137034895
3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea
CID 4752702
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(1S,2S)-1-N-(2-methoxyphenyl)-2-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 1069252
3-(2-methoxyphenyl)-1-methyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790434
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea (CID 18575211) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea is COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(C)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea?
The InChIKey is CFXRWRCRAJCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-9-11-15(12-10-14)22(18-8-5-13-20-18)19(23)21-16-6-3-4-7-17(16)24-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,21,23).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea?
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea has a molecular weight of 323.40 g/mol, XLogP of 4.23, 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)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea is sourced from PubChem (CID 18575211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).