1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea

C20H25N3O4 — CID 90595543

IUPAC1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCC(OC)C3)cc2)c(OC)c1
InChIInChI=1S/C20H25N3O4/c1-25-16-8-9-18(19(12-16)27-3)22-20(24)21-14-4-6-15(7-5-14)23-11-10-17(13-23)26-2/h4-9,12,17H,10-11,13H2,1-3H3,(H2,21,22,24)
InChIKeyJYAXZAMZEULIEX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.57
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea

1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea (PubChem CID 90595543) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
PubChem CID90595543
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCC(OC)C3)cc2)c(OC)c1
InChIInChI=1S/C20H25N3O4/c1-25-16-8-9-18(19(12-16)27-3)22-20(24)21-14-4-6-15(7-5-14)23-11-10-17(13-23)26-2/h4-9,12,17H,10-11,13H2,1-3H3,(H2,21,22,24)
InChIKeyJYAXZAMZEULIEX-UHFFFAOYSA-N
XLogP3.57
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea
CID 1056825
1-(2,4-dimethoxyphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea
CID 3537073
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
CID 97427651
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea (CID 90595543) is 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea is COc1ccc(NC(=O)Nc2ccc(N3CCC(OC)C3)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea?
The InChIKey is JYAXZAMZEULIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-16-8-9-18(19(12-16)27-3)22-20(24)21-14-4-6-15(7-5-14)23-11-10-17(13-23)26-2/h4-9,12,17H,10-11,13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea?
1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea has a molecular weight of 371.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 90595543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).