4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid

C24H23NO4 — CID 504906

IUPAC4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid
SMILESO=C(O)C(=O)CC(=O)N(CCCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C24H23NO4/c26-22(24(28)29)16-23(27)25(14-6-9-18-7-2-1-3-8-18)17-19-12-13-20-10-4-5-11-21(20)15-19/h1-5,7-8,10-13,15H,6,9,14,16-17H2,(H,28,29)
InChIKeyAGNKEZAVBPCWQP-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.85
Rot. Bonds9

About 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid

4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid (PubChem CID 504906) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid.

Molecular Properties

Compound Name4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid
PubChem CID504906
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid
SMILESO=C(O)C(=O)CC(=O)N(CCCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C24H23NO4/c26-22(24(28)29)16-23(27)25(14-6-9-18-7-2-1-3-8-18)17-19-12-13-20-10-4-5-11-21(20)15-19/h1-5,7-8,10-13,15H,6,9,14,16-17H2,(H,28,29)
InChIKeyAGNKEZAVBPCWQP-UHFFFAOYSA-N
XLogP3.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-Fluoro-benzyl)-N-naphthalen-2-ylmethyl-2-oxo-succinamic acid
CID 504905
N-Naphthalen-2-ylmethyl-2-oxo-N-(2-trifluoromethyl-phenyl)-succinamic acid
CID 504908
3-Fluoro-N-naphthalen-2-ylmethyl-2-oxo-N-phenyl-succinamic acid
CID 504947
N-[3-(2,4-Difluoro-phenyl)-allyl]-N-naphthalen-2-ylmethyl-2-oxo-succinamic acid
CID 6478532
Way 100252
CID 195598
N-Naphthalen-2-ylmethyl-2-oxo-N-(3-trifluoromethyl-phenyl)-succinamic acid
CID 504900
4-[3-(2,4-Difluorophenyl)propyl-(2-naphthylmethyl)amino]-2,4-dioxo-butanoic acid
CID 504932
N-(3,5-Bis-trifluoromethyl-phenyl)-N-naphthalen-2-ylmethyl-2-oxo-succinamic acid
CID 504941
Tert-butyl 4-[(3-fluorophenyl)methyl-(2-naphthylmethyl)amino]-2,4-dioxo-butanoate
CID 505555
Tert-butyl 4-[3-(2,4-difluorophenyl)propyl-(2-naphthylmethyl)amino]-2,4-dioxo-butanoate
CID 505584
tert-butyl 4-[[(E)-3-(2,4-difluorophenyl)allyl]-(2-naphthylmethyl)amino]-2,4-dioxo-butanoate
CID 6478559
4-[(3,4-Dichlorobenzyl)(2-naphthylmethyl)amino]-2,4-dioxobutanoic acid
CID 504883

Frequently Asked Questions

What is the IUPAC name of 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid?
The IUPAC name of 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid (CID 504906) is 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid.
What is the SMILES notation for 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid?
The canonical SMILES for 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid is O=C(O)C(=O)CC(=O)N(CCCc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid?
The InChIKey is AGNKEZAVBPCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-22(24(28)29)16-23(27)25(14-6-9-18-7-2-1-3-8-18)17-19-12-13-20-10-4-5-11-21(20)15-19/h1-5,7-8,10-13,15H,6,9,14,16-17H2,(H,28,29).
What are the key properties of 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid?
4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid has a molecular weight of 389.45 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid is sourced from PubChem (CID 504906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).