[4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate

C24H18N2O4 — CID 139641188

IUPAC[4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H18N2O4/c25-17-9-5-15(6-10-17)23(27)29-21-13-14-22(20-4-2-1-3-19(20)21)30-24(28)16-7-11-18(26)12-8-16/h1-14H,25-26H2
InChIKeyDCQNDBLAXUYDGR-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.44
Rot. Bonds4

About [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate

[4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate (PubChem CID 139641188) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate.

Molecular Properties

Compound Name[4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate
PubChem CID139641188
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name[4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H18N2O4/c25-17-9-5-15(6-10-17)23(27)29-21-13-14-22(20-4-2-1-3-19(20)21)30-24(28)16-7-11-18(26)12-8-16/h1-14H,25-26H2
InChIKeyDCQNDBLAXUYDGR-UHFFFAOYSA-N
XLogP4.44
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

beta-NAPHTHYL ANTHRANILATE
CID 62217
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
2-Naphthyl 4-nitrobenzoate
CID 221858
Methyl 6-((4-guanidinobenzoyl)oxy)-2-naphthoate
CID 118729853
Dihydrorhodamine 123
CID 105032
1-[(Dimethylamino)methyl]naphthalen-2-yl 4-aminobenzoate
CID 245761
(3,8-Dimethyl-5-propan-2-ylnaphthalen-2-yl) 4-nitrobenzoate
CID 137633558
(4-(4-Aminobenzoyl)oxyphenyl) 4-aminobenzoate
CID 323908
(4-Phenoxyphenyl) 4-aminobenzoate
CID 2802704
(3-Tert-butyl-4-hydroxyphenyl) 4-aminobenzoate
CID 122188984
[2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 4-aminobenzoate
CID 145993271
(E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one
CID 155553461

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate?
The IUPAC name of [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate (CID 139641188) is [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate.
What is the SMILES notation for [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate?
The canonical SMILES for [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate is Nc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)c3ccccc23)cc1.
What is the InChIKey of [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate?
The InChIKey is DCQNDBLAXUYDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c25-17-9-5-15(6-10-17)23(27)29-21-13-14-22(20-4-2-1-3-19(20)21)30-24(28)16-7-11-18(26)12-8-16/h1-14H,25-26H2.
What are the key properties of [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate?
[4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate has a molecular weight of 398.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobenzoyl)oxynaphthalen-1-yl] 4-aminobenzoate is sourced from PubChem (CID 139641188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).