N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide

C27H28N2O4 — CID 2445487

IUPACN,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
SMILESCOc1ccccc1NC(=O)C(=Cc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C27H28N2O4/c1-18(2)20-15-13-19(14-16-20)17-21(26(30)28-22-9-5-7-11-24(22)32-3)27(31)29-23-10-6-8-12-25(23)33-4/h5-18H,1-4H3,(H,28,30)(H,29,31)
InChIKeyDJGCMSIKABNSRW-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.49
Rot. Bonds8

About N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide

N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide (PubChem CID 2445487) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
PubChem CID2445487
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
SMILESCOc1ccccc1NC(=O)C(=Cc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C27H28N2O4/c1-18(2)20-15-13-19(14-16-20)17-21(26(30)28-22-9-5-7-11-24(22)32-3)27(31)29-23-10-6-8-12-25(23)33-4/h5-18H,1-4H3,(H,28,30)(H,29,31)
InChIKeyDJGCMSIKABNSRW-UHFFFAOYSA-N
XLogP5.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 16554527
2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide
CID 11372587
2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 2436196
3-(4-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3254379
N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
CID 2369819
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354
N-[(Z)-3-[4-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CID 22188264
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
methyl 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2713812
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028658
N-[(Z)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5443009
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108820961

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide?
The IUPAC name of N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide (CID 2445487) is N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide is COc1ccccc1NC(=O)C(=Cc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1OC.
What is the InChIKey of N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide?
The InChIKey is DJGCMSIKABNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-18(2)20-15-13-19(14-16-20)17-21(26(30)28-22-9-5-7-11-24(22)32-3)27(31)29-23-10-6-8-12-25(23)33-4/h5-18H,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide?
N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide has a molecular weight of 444.53 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide is sourced from PubChem (CID 2445487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).