N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide

C19H22N2O3 — CID 4146056

IUPACN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)=NNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-14(16-10-11-17(23-2)18(13-16)24-3)20-21-19(22)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,22)
InChIKeyIGXRPNDXFKTVHR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.18
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide (PubChem CID 4146056) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
PubChem CID4146056
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)=NNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-14(16-10-11-17(23-2)18(13-16)24-3)20-21-19(22)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,22)
InChIKeyIGXRPNDXFKTVHR-UHFFFAOYSA-N
XLogP3.18
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42995329
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide
CID 5192074
1-benzyl-3-[1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 4595010
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 7460972
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide (CID 4146056) is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide is COc1ccc(C(C)=NNC(=O)CCc2ccccc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide?
The InChIKey is IGXRPNDXFKTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(16-10-11-17(23-2)18(13-16)24-3)20-21-19(22)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide?
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 4146056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).