1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea

C19H25N3O4 — CID 55749404

IUPAC1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCCOc1ccc(CNC(=O)NCc2cccc(COC)c2)cn1
InChIInChI=1S/C19H25N3O4/c1-24-8-9-26-18-7-6-17(12-20-18)13-22-19(23)21-11-15-4-3-5-16(10-15)14-25-2/h3-7,10,12H,8-9,11,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyOAVDNNIBZWVTMW-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.25
Rot. Bonds10

About 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea

1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea (PubChem CID 55749404) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
PubChem CID55749404
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCCOc1ccc(CNC(=O)NCc2cccc(COC)c2)cn1
InChIInChI=1S/C19H25N3O4/c1-24-8-9-26-18-7-6-17(12-20-18)13-22-19(23)21-11-15-4-3-5-16(10-15)14-25-2/h3-7,10,12H,8-9,11,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyOAVDNNIBZWVTMW-UHFFFAOYSA-N
XLogP2.25
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 99840101
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038
3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744605
5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 60789641
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
N-[5-[[6-(2-methoxyethoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55744413
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338040

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea (CID 55749404) is 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea is COCCOc1ccc(CNC(=O)NCc2cccc(COC)c2)cn1.
What is the InChIKey of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is OAVDNNIBZWVTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-24-8-9-26-18-7-6-17(12-20-18)13-22-19(23)21-11-15-4-3-5-16(10-15)14-25-2/h3-7,10,12H,8-9,11,13-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 359.43 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 55749404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).