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)pentanamide

C24H22N2O5 — CID 155565669

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)pentanamide
SMILESCCCCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C24H22N2O5/c1-2-3-4-21(27)25-24-22-15(5-6-18-23(22)31-13-28-18)9-17-16-11-20-19(29-12-30-20)10-14(16)7-8-26(17)24/h5-6,9-11H,2-4,7-8,12-13H2,1H3/b25-24-
InChIKeyHCFZHPQODZCSPZ-IZHYLOQSSA-N
MW418.45 g/mol
LogP3.94
Rot. Bonds3

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)pentanamide

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)pentanamide (PubChem CID 155565669) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 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)pentanamide.

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)pentanamide
PubChem CID155565669
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
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)pentanamide
SMILESCCCCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C24H22N2O5/c1-2-3-4-21(27)25-24-22-15(5-6-18-23(22)31-13-28-18)9-17-16-11-20-19(29-12-30-20)10-14(16)7-8-26(17)24/h5-6,9-11H,2-4,7-8,12-13H2,1H3/b25-24-
InChIKeyHCFZHPQODZCSPZ-IZHYLOQSSA-N
XLogP3.94
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.94
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)pentanamide 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)pentanamide?
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)pentanamide (CID 155565669) 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)pentanamide.
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)pentanamide?
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)pentanamide is CCCCC(=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)pentanamide?
The InChIKey is HCFZHPQODZCSPZ-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-3-4-21(27)25-24-22-15(5-6-18-23(22)31-13-28-18)9-17-16-11-20-19(29-12-30-20)10-14(16)7-8-26(17)24/h5-6,9-11H,2-4,7-8,12-13H2,1H3/b25-24-.
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)pentanamide?
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)pentanamide has a molecular weight of 418.45 g/mol, XLogP of 3.94, 3 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)pentanamide is sourced from PubChem (CID 155565669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).