naphthalen-1-yl 3-morpholin-4-ylpropanoate

C17H19NO3 — CID 68790783

IUPACnaphthalen-1-yl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)Oc1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c19-17(8-9-18-10-12-20-13-11-18)21-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2
InChIKeyDSYGQPQBLOBZIZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.47
Rot. Bonds4

About naphthalen-1-yl 3-morpholin-4-ylpropanoate

naphthalen-1-yl 3-morpholin-4-ylpropanoate (PubChem CID 68790783) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is naphthalen-1-yl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namenaphthalen-1-yl 3-morpholin-4-ylpropanoate
PubChem CID68790783
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namenaphthalen-1-yl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)Oc1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c19-17(8-9-18-10-12-20-13-11-18)21-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2
InChIKeyDSYGQPQBLOBZIZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-morpholin-4-ylpropanoate
CID 12036172
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
(2R)-N-(3-morpholin-4-ylpropyl)-2-naphthalen-1-yloxybutanamide
CID 38018264
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
naphthalen-1-yl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate
CID 18823346
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
naphthalen-1-yl 2-methoxyacetate
CID 19894343
5-O-(dimethylamino) 1-O-naphthalen-1-yl pentanedioate
CID 175099618

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 3-morpholin-4-ylpropanoate?
The IUPAC name of naphthalen-1-yl 3-morpholin-4-ylpropanoate (CID 68790783) is naphthalen-1-yl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for naphthalen-1-yl 3-morpholin-4-ylpropanoate?
The canonical SMILES for naphthalen-1-yl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 3-morpholin-4-ylpropanoate?
The InChIKey is DSYGQPQBLOBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(8-9-18-10-12-20-13-11-18)21-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2.
What are the key properties of naphthalen-1-yl 3-morpholin-4-ylpropanoate?
naphthalen-1-yl 3-morpholin-4-ylpropanoate has a molecular weight of 285.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 68790783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).