4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide

C21H23N3O5 — CID 55879575

IUPAC4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C21H23N3O5/c1-28-16-10-8-15(9-11-16)20(26)23-13-12-22-19(25)7-4-14-24-17-5-2-3-6-18(17)29-21(24)27/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyZFTRALVPPZNSIK-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.93
Rot. Bonds9

About 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide

4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide (PubChem CID 55879575) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
PubChem CID55879575
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C21H23N3O5/c1-28-16-10-8-15(9-11-16)20(26)23-13-12-22-19(25)7-4-14-24-17-5-2-3-6-18(17)29-21(24)27/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyZFTRALVPPZNSIK-UHFFFAOYSA-N
XLogP1.93
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide with MolForge

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Related Compounds

methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
N-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41250658
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 25473352
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
N-(2-benzylsulfanylethyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18195767
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide (CID 55879575) is 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)CCCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide?
The InChIKey is ZFTRALVPPZNSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-28-16-10-8-15(9-11-16)20(26)23-13-12-22-19(25)7-4-14-24-17-5-2-3-6-18(17)29-21(24)27/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide?
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide has a molecular weight of 397.43 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide is sourced from PubChem (CID 55879575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).