N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide

C26H24N2O4 — CID 16504633

IUPACN-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-18(2)28(22-12-10-21(11-13-22)27-20-6-4-3-5-7-20)25(29)17-31-23-14-8-19-9-15-26(30)32-24(19)16-23/h3-16,18,27H,17H2,1-2H3
InChIKeyGNPNNYIQWUIYGF-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.36
Rot. Bonds7

About N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide

N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide (PubChem CID 16504633) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide
PubChem CID16504633
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-18(2)28(22-12-10-21(11-13-22)27-20-6-4-3-5-7-20)25(29)17-31-23-14-8-19-9-15-26(30)32-24(19)16-23/h3-16,18,27H,17H2,1-2H3
InChIKeyGNPNNYIQWUIYGF-UHFFFAOYSA-N
XLogP5.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
N-ethyl-N-naphthalen-1-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705109
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
2-O-[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504871
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 7565223
N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46465678
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 6-acetamidohexanoate
CID 55734686

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide (CID 16504633) is N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide?
The InChIKey is GNPNNYIQWUIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-18(2)28(22-12-10-21(11-13-22)27-20-6-4-3-5-7-20)25(29)17-31-23-14-8-19-9-15-26(30)32-24(19)16-23/h3-16,18,27H,17H2,1-2H3.
What are the key properties of N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide?
N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide has a molecular weight of 428.49 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 16504633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).