formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea

C18H29N3O5 — CID 154909433

IUPACformic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
SMILESCOCCOc1ccc(CNC(=O)N(C)C2CCN(C)C2)cc1.O=CO
InChIInChI=1S/C17H27N3O3.CH2O2/c1-19-9-8-15(13-19)20(2)17(21)18-12-14-4-6-16(7-5-14)23-11-10-22-3;2-1-3/h4-7,15H,8-13H2,1-3H3,(H,18,21);1H,(H,2,3)
InChIKeyXJHUXZSTZHLOPW-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.26
Rot. Bonds7

About formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea

formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea (PubChem CID 154909433) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Nameformic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
PubChem CID154909433
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Nameformic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
SMILESCOCCOc1ccc(CNC(=O)N(C)C2CCN(C)C2)cc1.O=CO
InChIInChI=1S/C17H27N3O3.CH2O2/c1-19-9-8-15(13-19)20(2)17(21)18-12-14-4-6-16(7-5-14)23-11-10-22-3;2-1-3/h4-7,15H,8-13H2,1-3H3,(H,18,21);1H,(H,2,3)
InChIKeyXJHUXZSTZHLOPW-UHFFFAOYSA-N
XLogP1.26
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-(1-oxothian-4-yl)-3-[(4-propoxyphenyl)methyl]urea
CID 75438756
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94249479
1-methyl-3-[(4-methylphenoxy)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 108892852
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylbut-3-enoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 143567878
N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 71853262
2-[4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]phenoxy]acetic acid
CID 91784125
methyl 3-[4-[[[(4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 46909551
N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838996
1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea
CID 87004129
4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63274153
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
The IUPAC name of formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea (CID 154909433) is formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea.
What is the SMILES notation for formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
The canonical SMILES for formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea is COCCOc1ccc(CNC(=O)N(C)C2CCN(C)C2)cc1.O=CO.
What is the InChIKey of formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
The InChIKey is XJHUXZSTZHLOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.CH2O2/c1-19-9-8-15(13-19)20(2)17(21)18-12-14-4-6-16(7-5-14)23-11-10-22-3;2-1-3/h4-7,15H,8-13H2,1-3H3,(H,18,21);1H,(H,2,3).
What are the key properties of formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea has a molecular weight of 367.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[[4-(2-methoxyethoxy)phenyl]methyl]-1-methyl-1-(1-methylpyrrolidin-3-yl)urea is sourced from PubChem (CID 154909433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).