3-naphthalen-2-yloxypropyl 3-iminobutanoate

C17H19NO3 — CID 54485118

IUPAC3-naphthalen-2-yloxypropyl 3-iminobutanoate
SMILES[H]/N=C(\C)CC(=O)OCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-13(18)11-17(19)21-10-4-9-20-16-8-7-14-5-2-3-6-15(14)12-16/h2-3,5-8,12,18H,4,9-11H2,1H3/b18-13+
InChIKeyXRTCVWRYFHNBMH-QGOAFFKASA-N
MW285.34 g/mol
LogP3.58
Rot. Bonds7

About 3-naphthalen-2-yloxypropyl 3-iminobutanoate

3-naphthalen-2-yloxypropyl 3-iminobutanoate (PubChem CID 54485118) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-naphthalen-2-yloxypropyl 3-iminobutanoate.

Molecular Properties

Compound Name3-naphthalen-2-yloxypropyl 3-iminobutanoate
PubChem CID54485118
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-naphthalen-2-yloxypropyl 3-iminobutanoate
SMILES[H]/N=C(\C)CC(=O)OCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-13(18)11-17(19)21-10-4-9-20-16-8-7-14-5-2-3-6-15(14)12-16/h2-3,5-8,12,18H,4,9-11H2,1H3/b18-13+
InChIKeyXRTCVWRYFHNBMH-QGOAFFKASA-N
XLogP3.58
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-phenanthren-2-yloxypropyl acetate
CID 59456218
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
2-bromoethyl 2-naphthalen-2-yloxyacetate
CID 22163309
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
7-naphthalen-2-yloxyheptanoic acid
CID 39371628

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yloxypropyl 3-iminobutanoate?
The IUPAC name of 3-naphthalen-2-yloxypropyl 3-iminobutanoate (CID 54485118) is 3-naphthalen-2-yloxypropyl 3-iminobutanoate.
What is the SMILES notation for 3-naphthalen-2-yloxypropyl 3-iminobutanoate?
The canonical SMILES for 3-naphthalen-2-yloxypropyl 3-iminobutanoate is [H]/N=C(\C)CC(=O)OCCCOc1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yloxypropyl 3-iminobutanoate?
The InChIKey is XRTCVWRYFHNBMH-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(18)11-17(19)21-10-4-9-20-16-8-7-14-5-2-3-6-15(14)12-16/h2-3,5-8,12,18H,4,9-11H2,1H3/b18-13+.
What are the key properties of 3-naphthalen-2-yloxypropyl 3-iminobutanoate?
3-naphthalen-2-yloxypropyl 3-iminobutanoate has a molecular weight of 285.34 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yloxypropyl 3-iminobutanoate is sourced from PubChem (CID 54485118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).