N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide

C25H26N2O4 — CID 8884397

IUPACN-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCCOc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-18-5-3-6-23(17-18)31-16-4-7-24(28)26-20-10-8-19(9-11-20)25(29)27-21-12-14-22(30-2)15-13-21/h3,5-6,8-15,17H,4,7,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKSLRMJPUMZCQKI-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.05
Rot. Bonds9

About N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide

N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide (PubChem CID 8884397) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
PubChem CID8884397
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCCOc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-18-5-3-6-23(17-18)31-16-4-7-24(28)26-20-10-8-19(9-11-20)25(29)27-21-12-14-22(30-2)15-13-21/h3,5-6,8-15,17H,4,7,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKSLRMJPUMZCQKI-UHFFFAOYSA-N
XLogP5.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-methoxyphenoxy)butanoate
CID 19176404
N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119419628
N-(3-methoxyphenyl)-4-(pentanoylamino)benzamide
CID 3622603
N-(2-methoxyphenyl)-4-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 7998969
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide (CID 8884397) is N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCCOc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide?
The InChIKey is KSLRMJPUMZCQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18-5-3-6-23(17-18)31-16-4-7-24(28)26-20-10-8-19(9-11-20)25(29)27-21-12-14-22(30-2)15-13-21/h3,5-6,8-15,17H,4,7,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide?
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide has a molecular weight of 418.49 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 8884397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).