1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea

C19H31N3O2 — CID 60547514

IUPAC1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCc1ccccc1OCCNC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C19H31N3O2/c1-16-8-3-4-10-18(16)24-15-12-21-19(23)20-11-7-14-22-13-6-5-9-17(22)2/h3-4,8,10,17H,5-7,9,11-15H2,1-2H3,(H2,20,21,23)
InChIKeyNFGBZQFJUMQONB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.94
Rot. Bonds8

About 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea

1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 60547514) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID60547514
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCc1ccccc1OCCNC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C19H31N3O2/c1-16-8-3-4-10-18(16)24-15-12-21-19(23)20-11-7-14-22-13-6-5-9-17(22)2/h3-4,8,10,17H,5-7,9,11-15H2,1-2H3,(H2,20,21,23)
InChIKeyNFGBZQFJUMQONB-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 47066580
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472760
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 60547514) is 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea is Cc1ccccc1OCCNC(=O)NCCCN1CCCCC1C.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is NFGBZQFJUMQONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16-8-3-4-10-18(16)24-15-12-21-19(23)20-11-7-14-22-13-6-5-9-17(22)2/h3-4,8,10,17H,5-7,9,11-15H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 60547514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).