[6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate

C22H19NO5 — CID 14278029

IUPAC[6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c2cc(N(C(C)=O)c3ccccc3)ccc12
InChIInChI=1S/C22H19NO5/c1-14(24)23(17-7-5-4-6-8-17)18-9-10-19-20(13-18)22(28-16(3)26)12-11-21(19)27-15(2)25/h4-13H,1-3H3
InChIKeyDXJCCKUBDKNEQC-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.38
Rot. Bonds4

About [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate

[6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate (PubChem CID 14278029) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate.

Molecular Properties

Compound Name[6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate
PubChem CID14278029
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c2cc(N(C(C)=O)c3ccccc3)ccc12
InChIInChI=1S/C22H19NO5/c1-14(24)23(17-7-5-4-6-8-17)18-9-10-19-20(13-18)22(28-16(3)26)12-11-21(19)27-15(2)25/h4-13H,1-3H3
InChIKeyDXJCCKUBDKNEQC-UHFFFAOYSA-N
XLogP4.38
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-phenyl-N-(4-prop-1-en-2-ylphenyl)acetamide
CID 177099731
4-(N-acetylanilino)benzoic acid
CID 138332806
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
CID 59793191
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
(4-formylnaphthalen-1-yl) acetate
CID 15584813
N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 101072014
(4-acetamidoanthracen-1-yl) acetate
CID 175270298
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
N-(2-hydroxyphenyl)-N-phenylacetamide
CID 72942625
triphenylen-1-yl acetate
CID 87276472

Frequently Asked Questions

What is the IUPAC name of [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate?
The IUPAC name of [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate (CID 14278029) is [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate.
What is the SMILES notation for [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate?
The canonical SMILES for [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate is CC(=O)Oc1ccc(OC(C)=O)c2cc(N(C(C)=O)c3ccccc3)ccc12.
What is the InChIKey of [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate?
The InChIKey is DXJCCKUBDKNEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-14(24)23(17-7-5-4-6-8-17)18-9-10-19-20(13-18)22(28-16(3)26)12-11-21(19)27-15(2)25/h4-13H,1-3H3.
What are the key properties of [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate?
[6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate has a molecular weight of 377.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(N-acetylanilino)-4-acetyloxynaphthalen-1-yl] acetate is sourced from PubChem (CID 14278029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).