N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide

C27H30N2O5 — CID 19191042

IUPACN-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCOc1cccc(C)c1C
InChIInChI=1S/C27H30N2O5/c1-18-10-8-13-23(19(18)2)34-15-9-14-26(30)28-21-16-25(33-4)22(17-24(21)32-3)29-27(31)20-11-6-5-7-12-20/h5-8,10-13,16-17H,9,14-15H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyXRIUALGSPVLXJL-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.37
Rot. Bonds10

About N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide

N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 19191042) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
PubChem CID19191042
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCOc1cccc(C)c1C
InChIInChI=1S/C27H30N2O5/c1-18-10-8-13-23(19(18)2)34-15-9-14-26(30)28-21-16-25(33-4)22(17-24(21)32-3)29-27(31)20-11-6-5-7-12-20/h5-8,10-13,16-17H,9,14-15H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyXRIUALGSPVLXJL-UHFFFAOYSA-N
XLogP5.37
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19190902
N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 5158014
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide (CID 19191042) is N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCOc1cccc(C)c1C.
What is the InChIKey of N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is XRIUALGSPVLXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-18-10-8-13-23(19(18)2)34-15-9-14-26(30)28-21-16-25(33-4)22(17-24(21)32-3)29-27(31)20-11-6-5-7-12-20/h5-8,10-13,16-17H,9,14-15H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 19191042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).