N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide

C20H18N2O4 — CID 26871479

IUPACN-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N/N=C\c2coc3ccccc3c2=O)c1
InChIInChI=1S/C20H18N2O4/c1-2-10-25-16-7-5-6-14(11-16)20(24)22-21-12-15-13-26-18-9-4-3-8-17(18)19(15)23/h3-9,11-13H,2,10H2,1H3,(H,22,24)/b21-12-
InChIKeyPENOKHTVSLJGCZ-MTJSOVHGSA-N
MW350.37 g/mol
LogP3.35
Rot. Bonds6

About N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide

N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide (PubChem CID 26871479) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
PubChem CID26871479
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N/N=C\c2coc3ccccc3c2=O)c1
InChIInChI=1S/C20H18N2O4/c1-2-10-25-16-7-5-6-14(11-16)20(24)22-21-12-15-13-26-18-9-4-3-8-17(18)19(15)23/h3-9,11-13H,2,10H2,1H3,(H,22,24)/b21-12-
InChIKeyPENOKHTVSLJGCZ-MTJSOVHGSA-N
XLogP3.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 1085155
4-butoxy-N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzamide
CID 17385518
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944841
3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide
CID 172940474
5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
CID 3269329
3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
CID 155490492
N-[(4-oxochromen-3-yl)methylideneamino]isoquinoline-1-carboxamide
CID 175293319
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
4-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
CID 172931261
N-(4-methoxyphenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
CID 51060763
N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide
CID 4563866
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide?
The IUPAC name of N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide (CID 26871479) is N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide?
The canonical SMILES for N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide is CCCOc1cccc(C(=O)N/N=C\c2coc3ccccc3c2=O)c1.
What is the InChIKey of N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide?
The InChIKey is PENOKHTVSLJGCZ-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-10-25-16-7-5-6-14(11-16)20(24)22-21-12-15-13-26-18-9-4-3-8-17(18)19(15)23/h3-9,11-13H,2,10H2,1H3,(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide?
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide has a molecular weight of 350.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide is sourced from PubChem (CID 26871479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).