2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide

C20H25N3O2 — CID 5063444

IUPAC2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
SMILESCOc1ccc(NC(C)C(=O)NN=Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)17-7-5-16(6-8-17)13-21-23-20(24)15(3)22-18-9-11-19(25-4)12-10-18/h5-15,22H,1-4H3,(H,23,24)
InChIKeyMWTXGPSRLQLZGX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.77
Rot. Bonds7

About 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide

2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide (PubChem CID 5063444) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
PubChem CID5063444
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
SMILESCOc1ccc(NC(C)C(=O)NN=Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)17-7-5-16(6-8-17)13-21-23-20(24)15(3)22-18-9-11-19(25-4)12-10-18/h5-15,22H,1-4H3,(H,23,24)
InChIKeyMWTXGPSRLQLZGX-UHFFFAOYSA-N
XLogP3.77
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 7784433
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 86771790
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 4253817
(2S)-2-(4-methoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 5431240
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5001692
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135679505
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 40566273
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide (CID 5063444) is 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide is COc1ccc(NC(C)C(=O)NN=Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide?
The InChIKey is MWTXGPSRLQLZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)17-7-5-16(6-8-17)13-21-23-20(24)15(3)22-18-9-11-19(25-4)12-10-18/h5-15,22H,1-4H3,(H,23,24).
What are the key properties of 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide?
2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 5063444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).