1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea

C16H26N4O3 — CID 51082870

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCCOc1ncccc1CNC(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-3-23-15-14(5-4-6-17-15)11-18-16(21)19-13(2)12-20-7-9-22-10-8-20/h4-6,13H,3,7-12H2,1-2H3,(H2,18,19,21)
InChIKeyUWTQBEDQLMVMSM-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.00
Rot. Bonds7

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea (PubChem CID 51082870) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
PubChem CID51082870
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCCOc1ncccc1CNC(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-3-23-15-14(5-4-6-17-15)11-18-16(21)19-13(2)12-20-7-9-22-10-8-20/h4-6,13H,3,7-12H2,1-2H3,(H2,18,19,21)
InChIKeyUWTQBEDQLMVMSM-UHFFFAOYSA-N
XLogP1.00
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
CID 94029349
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94102902
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006399
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
CID 42891466
2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea (CID 51082870) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea is CCOc1ncccc1CNC(=O)NC(C)CN1CCOCC1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is UWTQBEDQLMVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-23-15-14(5-4-6-17-15)11-18-16(21)19-13(2)12-20-7-9-22-10-8-20/h4-6,13H,3,7-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 322.41 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 51082870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).