N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide

C20H22N2O3 — CID 171817090

IUPACN-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
SMILESCOc1ccc(C=NNC(=O)CCCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-15-6-10-17(11-7-15)19(23)4-3-5-20(24)22-21-14-16-8-12-18(25-2)13-9-16/h6-14H,3-5H2,1-2H3,(H,22,24)
InChIKeyKGUGIIGQKJQNCJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.51
Rot. Bonds8

About N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide

N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide (PubChem CID 171817090) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
PubChem CID171817090
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
SMILESCOc1ccc(C=NNC(=O)CCCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-15-6-10-17(11-7-15)19(23)4-3-5-20(24)22-21-14-16-8-12-18(25-2)13-9-16/h6-14H,3-5H2,1-2H3,(H,22,24)
InChIKeyKGUGIIGQKJQNCJ-UHFFFAOYSA-N
XLogP3.51
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.51
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[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
4-methoxy-N-[3-[2-[(4-methylphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3970105
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
4-(4-methoxy-2-methylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]butanamide
CID 5394009
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide (CID 171817090) is N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide is COc1ccc(C=NNC(=O)CCCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide?
The InChIKey is KGUGIIGQKJQNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-6-10-17(11-7-15)19(23)4-3-5-20(24)22-21-14-16-8-12-18(25-2)13-9-16/h6-14H,3-5H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide?
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide has a molecular weight of 338.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide is sourced from PubChem (CID 171817090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).