N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide

C20H18N2O3 — CID 824165

IUPACN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide
SMILESCC(=NNC(=O)CCc1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18N2O3/c1-13(18-19(24)15-9-5-6-10-16(15)20(18)25)21-22-17(23)12-11-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3,(H,22,23)
InChIKeyKNYUDPNEPNNBPJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.81
Rot. Bonds5

About N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide

N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide (PubChem CID 824165) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide
PubChem CID824165
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide
SMILESCC(=NNC(=O)CCc1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18N2O3/c1-13(18-19(24)15-9-5-6-10-16(15)20(18)25)21-22-17(23)12-11-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3,(H,22,23)
InChIKeyKNYUDPNEPNNBPJ-UHFFFAOYSA-N
XLogP2.81
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide (CID 824165) is N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide is CC(=NNC(=O)CCc1ccccc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
The InChIKey is KNYUDPNEPNNBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13(18-19(24)15-9-5-6-10-16(15)20(18)25)21-22-17(23)12-11-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3,(H,22,23).
What are the key properties of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide has a molecular weight of 334.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 824165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).