N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide

C23H20N2O5 — CID 155561185

IUPACN-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide
SMILESCCCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C23H20N2O5/c1-2-3-20(26)24-23-21-14(4-5-17-22(21)30-12-27-17)8-16-15-10-19-18(28-11-29-19)9-13(15)6-7-25(16)23/h4-5,8-10H,2-3,6-7,11-12H2,1H3/b24-23-
InChIKeyCHUPVYGJLRITLJ-VHXPQNKSSA-N
MW404.42 g/mol
LogP3.55
Rot. Bonds2

About N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide

N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide (PubChem CID 155561185) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide.

Molecular Properties

Compound NameN-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide
PubChem CID155561185
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC NameN-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide
SMILESCCCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C23H20N2O5/c1-2-3-20(26)24-23-21-14(4-5-17-22(21)30-12-27-17)8-16-15-10-19-18(28-11-29-19)9-13(15)6-7-25(16)23/h4-5,8-10H,2-3,6-7,11-12H2,1H3/b24-23-
InChIKeyCHUPVYGJLRITLJ-VHXPQNKSSA-N
XLogP3.55
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide?
The IUPAC name of N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide (CID 155561185) is N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide.
What is the SMILES notation for N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide?
The canonical SMILES for N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide is CCCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3.
What is the InChIKey of N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide?
The InChIKey is CHUPVYGJLRITLJ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-2-3-20(26)24-23-21-14(4-5-17-22(21)30-12-27-17)8-16-15-10-19-18(28-11-29-19)9-13(15)6-7-25(16)23/h4-5,8-10H,2-3,6-7,11-12H2,1H3/b24-23-.
What are the key properties of N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide?
N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide has a molecular weight of 404.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-ylidene)butanamide is sourced from PubChem (CID 155561185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).