3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea

C18H23N3O3 — CID 53185077

IUPAC3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
SMILESCOCCCNC(=O)N(C)Cc1cccnc1Oc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-21(18(22)20-12-7-13-23-2)14-15-8-6-11-19-17(15)24-16-9-4-3-5-10-16/h3-6,8-11H,7,12-14H2,1-2H3,(H,20,22)
InChIKeyDUDSVBNYTITTID-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.05
Rot. Bonds8

About 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea

3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea (PubChem CID 53185077) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
PubChem CID53185077
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
SMILESCOCCCNC(=O)N(C)Cc1cccnc1Oc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-21(18(22)20-12-7-13-23-2)14-15-8-6-11-19-17(15)24-16-9-4-3-5-10-16/h3-6,8-11H,7,12-14H2,1-2H3,(H,20,22)
InChIKeyDUDSVBNYTITTID-UHFFFAOYSA-N
XLogP3.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
CID 53185078
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 53185056
1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041319
1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
CID 53185034
N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130117
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
4-[[3-methoxypropylcarbamoyl(methyl)amino]methyl]benzoic acid
CID 61196142
2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide
CID 55889564
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
phenyl N-(3-methoxypropyl)carbamate
CID 60636020

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea (CID 53185077) is 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea is COCCCNC(=O)N(C)Cc1cccnc1Oc1ccccc1.
What is the InChIKey of 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea?
The InChIKey is DUDSVBNYTITTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21(18(22)20-12-7-13-23-2)14-15-8-6-11-19-17(15)24-16-9-4-3-5-10-16/h3-6,8-11H,7,12-14H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea?
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 53185077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).