1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea

C20H25N3O3 — CID 17174383

IUPAC1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-25-17-9-10-19(26-2)18(13-17)22-20(24)21-16-7-5-15(6-8-16)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,22,24)
InChIKeyUWBYMFZSXDTLLY-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.94
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea

1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea (PubChem CID 17174383) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
PubChem CID17174383
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-25-17-9-10-19(26-2)18(13-17)22-20(24)21-16-7-5-15(6-8-16)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,22,24)
InChIKeyUWBYMFZSXDTLLY-UHFFFAOYSA-N
XLogP3.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920049
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)urea
CID 35277983
1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 170860315
1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920044
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
1-(2,5-dimethoxyphenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748140
N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987415
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea (CID 17174383) is 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea is COc1ccc(OC)c(NC(=O)Nc2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea?
The InChIKey is UWBYMFZSXDTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-9-10-19(26-2)18(13-17)22-20(24)21-16-7-5-15(6-8-16)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea?
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea has a molecular weight of 355.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 17174383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).