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)propanamide

C22H18N2O5 — CID 155542144

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)propanamide
SMILESCCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C22H18N2O5/c1-2-19(25)23-22-20-13(3-4-16-21(20)29-11-26-16)7-15-14-9-18-17(27-10-28-18)8-12(14)5-6-24(15)22/h3-4,7-9H,2,5-6,10-11H2,1H3/b23-22-
InChIKeyPQASMRLZJSXMIA-FCQUAONHSA-N
MW390.40 g/mol
LogP3.16
Rot. Bonds1

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)propanamide

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)propanamide (PubChem CID 155542144) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 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)propanamide.

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)propanamide
PubChem CID155542144
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
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)propanamide
SMILESCCC(=O)/N=c1/c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3
InChIInChI=1S/C22H18N2O5/c1-2-19(25)23-22-20-13(3-4-16-21(20)29-11-26-16)7-15-14-9-18-17(27-10-28-18)8-12(14)5-6-24(15)22/h3-4,7-9H,2,5-6,10-11H2,1H3/b23-22-
InChIKeyPQASMRLZJSXMIA-FCQUAONHSA-N
XLogP3.16
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.16
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)propanamide 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)propanamide?
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)propanamide (CID 155542144) 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)propanamide.
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)propanamide?
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)propanamide is CCC(=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)propanamide?
The InChIKey is PQASMRLZJSXMIA-FCQUAONHSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-2-19(25)23-22-20-13(3-4-16-21(20)29-11-26-16)7-15-14-9-18-17(27-10-28-18)8-12(14)5-6-24(15)22/h3-4,7-9H,2,5-6,10-11H2,1H3/b23-22-.
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)propanamide?
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)propanamide has a molecular weight of 390.40 g/mol, XLogP of 3.16, 1 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)propanamide is sourced from PubChem (CID 155542144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).