2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide

C19H22N2O2 — CID 3467394

IUPAC2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
SMILESCCCC(=NNC(=O)Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-7-18(16-8-5-4-6-9-16)20-21-19(22)14-15-10-12-17(23-2)13-11-15/h4-6,8-13H,3,7,14H2,1-2H3,(H,21,22)
InChIKeyGDRGRQDTNQTEMI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide

2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide (PubChem CID 3467394) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
PubChem CID3467394
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
SMILESCCCC(=NNC(=O)Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-7-18(16-8-5-4-6-9-16)20-21-19(22)14-15-10-12-17(23-2)13-11-15/h4-6,8-13H,3,7,14H2,1-2H3,(H,21,22)
InChIKeyGDRGRQDTNQTEMI-UHFFFAOYSA-N
XLogP3.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6004384
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide (CID 3467394) is 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide is CCCC(=NNC(=O)Cc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide?
The InChIKey is GDRGRQDTNQTEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-7-18(16-8-5-4-6-9-16)20-21-19(22)14-15-10-12-17(23-2)13-11-15/h4-6,8-13H,3,7,14H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide?
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide is sourced from PubChem (CID 3467394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).