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

C20H18N2O3 — CID 5409589

IUPACN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide
SMILESC/C(=N/NC(=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)/b21-13-
InChIKeyKNYUDPNEPNNBPJ-BKUYFWCQSA-N
MW334.38 g/mol
LogP2.81
Rot. Bonds5

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

N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide (PubChem CID 5409589) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide
PubChem CID5409589
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide
SMILESC/C(=N/NC(=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)/b21-13-
InChIKeyKNYUDPNEPNNBPJ-BKUYFWCQSA-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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Related Compounds

N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]thiourea
CID 5427627
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide
CID 126125541
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6379598
N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
CID 171983291
N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-3-phenylpropanamide
CID 135464797
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide (CID 5409589) is N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide is C/C(=N/NC(=O)CCc1ccccc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
The InChIKey is KNYUDPNEPNNBPJ-BKUYFWCQSA-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)/b21-13-.
What are the key properties of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide?
N-[(Z)-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-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 5409589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).