[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

C17H21N3O3 — CID 18628987

IUPAC[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
SMILESNC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H21N3O3/c18-17(21)19-15-5-6-16(14-4-2-1-3-13(14)15)23-12-9-20-7-10-22-11-8-20/h1-6H,7-12H2,(H3,18,19,21)
InChIKeyHYOWALKAKDWVRF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.04
Rot. Bonds5

About [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea (PubChem CID 18628987) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
PubChem CID18628987
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
SMILESNC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H21N3O3/c18-17(21)19-15-5-6-16(14-4-2-1-3-13(14)15)23-12-9-20-7-10-22-11-8-20/h1-6H,7-12H2,(H3,18,19,21)
InChIKeyHYOWALKAKDWVRF-UHFFFAOYSA-N
XLogP2.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide
CID 67091404
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
methyl 5-tert-butyl-1-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate
CID 18406693
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
The IUPAC name of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea (CID 18628987) is [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea.
What is the SMILES notation for [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
The canonical SMILES for [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea is NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
The InChIKey is HYOWALKAKDWVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-17(21)19-15-5-6-16(14-4-2-1-3-13(14)15)23-12-9-20-7-10-22-11-8-20/h1-6H,7-12H2,(H3,18,19,21).
What are the key properties of [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea has a molecular weight of 315.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea is sourced from PubChem (CID 18628987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).