1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

C17H21N3O3 — CID 126831662

IUPAC1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCOCOc1ccc(NC(=O)NCCc2ccncc2C)cc1
InChIInChI=1S/C17H21N3O3/c1-13-11-18-9-7-14(13)8-10-19-17(21)20-15-3-5-16(6-4-15)23-12-22-2/h3-7,9,11H,8,10,12H2,1-2H3,(H2,19,20,21)
InChIKeyUUXROSUMYXWSBH-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.74
Rot. Bonds7

About 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 126831662) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID126831662
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCOCOc1ccc(NC(=O)NCCc2ccncc2C)cc1
InChIInChI=1S/C17H21N3O3/c1-13-11-18-9-7-14(13)8-10-19-17(21)20-15-3-5-16(6-4-15)23-12-22-2/h3-7,9,11H,8,10,12H2,1-2H3,(H2,19,20,21)
InChIKeyUUXROSUMYXWSBH-UHFFFAOYSA-N
XLogP2.74
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108899665
methyl 1-methyl-5-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]pyrazole-4-carboxylate
CID 126820412
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399207
N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
CID 75438227
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743
1-(5-hydroxypentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109398845
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 126815459
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 126831662) is 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is COCOc1ccc(NC(=O)NCCc2ccncc2C)cc1.
What is the InChIKey of 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is UUXROSUMYXWSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-11-18-9-7-14(13)8-10-19-17(21)20-15-3-5-16(6-4-15)23-12-22-2/h3-7,9,11H,8,10,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 315.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 126831662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).