3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea

C20H25N3O2 — CID 51328293

IUPAC3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCOc1cccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)c1
InChIInChI=1S/C20H25N3O2/c1-22(20(24)21-17-9-7-10-18(14-17)25-2)15-16-8-3-4-11-19(16)23-12-5-6-13-23/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,21,24)
InChIKeySVPDWHYBNKLLMN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.96
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea

3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea (PubChem CID 51328293) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
PubChem CID51328293
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCOc1cccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)c1
InChIInChI=1S/C20H25N3O2/c1-22(20(24)21-17-9-7-10-18(14-17)25-2)15-16-8-3-4-11-19(16)23-12-5-6-13-23/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,21,24)
InChIKeySVPDWHYBNKLLMN-UHFFFAOYSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 52667538
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide
CID 166202726
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 55696576
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051980
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide
CID 78816997
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 24896340
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 55698533
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide
CID 51124929

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea (CID 51328293) is 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea is COc1cccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The InChIKey is SVPDWHYBNKLLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(20(24)21-17-9-7-10-18(14-17)25-2)15-16-8-3-4-11-19(16)23-12-5-6-13-23/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,21,24).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 51328293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).