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)acetamide

C21H16N2O5 — CID 155567644

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)acetamide
SMILESCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C21H16N2O5/c1-11(24)22-21-19-13(2-3-16-20(19)28-10-25-16)6-15-14-8-18-17(26-9-27-18)7-12(14)4-5-23(15)21/h2-3,6-8H,4-5,9-10H2,1H3/b22-21-
InChIKeyVKEHYWQLTWLKGC-DQRAZIAOSA-N
MW376.37 g/mol
LogP2.77
Rot. Bonds

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)acetamide

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)acetamide (PubChem CID 155567644) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 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)acetamide.

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)acetamide
PubChem CID155567644
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
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)acetamide
SMILESCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C21H16N2O5/c1-11(24)22-21-19-13(2-3-16-20(19)28-10-25-16)6-15-14-8-18-17(26-9-27-18)7-12(14)4-5-23(15)21/h2-3,6-8H,4-5,9-10H2,1H3/b22-21-
InChIKeyVKEHYWQLTWLKGC-DQRAZIAOSA-N
XLogP2.77
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.77
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)acetamide 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)acetamide?
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)acetamide (CID 155567644) 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)acetamide.
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)acetamide?
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)acetamide is CC(=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)acetamide?
The InChIKey is VKEHYWQLTWLKGC-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-11(24)22-21-19-13(2-3-16-20(19)28-10-25-16)6-15-14-8-18-17(26-9-27-18)7-12(14)4-5-23(15)21/h2-3,6-8H,4-5,9-10H2,1H3/b22-21-.
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)acetamide?
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)acetamide has a molecular weight of 376.37 g/mol, XLogP of 2.77, 0 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)acetamide is sourced from PubChem (CID 155567644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).