2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate

C14H15NO3 — CID 70579258

IUPAC2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
SMILESCC(=O)OCCNc1cccc2c(O)cccc12
InChIInChI=1S/C14H15NO3/c1-10(16)18-9-8-15-13-6-2-5-12-11(13)4-3-7-14(12)17/h2-7,15,17H,8-9H2,1H3
InChIKeyBZQUFFNXQONCNP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.52
Rot. Bonds4

About 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate

2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate (PubChem CID 70579258) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
PubChem CID70579258
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
SMILESCC(=O)OCCNc1cccc2c(O)cccc12
InChIInChI=1S/C14H15NO3/c1-10(16)18-9-8-15-13-6-2-5-12-11(13)4-3-7-14(12)17/h2-7,15,17H,8-9H2,1H3
InChIKeyBZQUFFNXQONCNP-UHFFFAOYSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbonochloridoylanilino)ethyl acetate
CID 87983968
5-(dodecylamino)naphthalen-1-ol
CID 11438841
5-(3-chloropropylamino)naphthalen-1-ol
CID 70579278
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430
5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol
CID 116501113
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
2-(2-aminoethoxy)-N-(5-hydroxynaphthalen-1-yl)acetamide
CID 79473649
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate
CID 18668271
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate?
The IUPAC name of 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate (CID 70579258) is 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate.
What is the SMILES notation for 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate?
The canonical SMILES for 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate is CC(=O)OCCNc1cccc2c(O)cccc12.
What is the InChIKey of 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate?
The InChIKey is BZQUFFNXQONCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)18-9-8-15-13-6-2-5-12-11(13)4-3-7-14(12)17/h2-7,15,17H,8-9H2,1H3.
What are the key properties of 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate?
2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate has a molecular weight of 245.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate is sourced from PubChem (CID 70579258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).