N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide

C32H26N2O3 — CID 1214717

IUPACN-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)N(CCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc2ccccc12
InChIInChI=1S/C32H26N2O3/c1-19(35)33(26-16-8-10-20-9-2-3-11-21(20)26)17-18-34-31(36)29-27-22-12-4-5-13-23(22)28(30(29)32(34)37)25-15-7-6-14-24(25)27/h2-16,27-30H,17-18H2,1H3/t27?,28?,29-,30+
InChIKeyZBOIRTQQRAVCDP-QYVRTBTHSA-N
MW486.57 g/mol
LogP5.08
Rot. Bonds4

About N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide

N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide (PubChem CID 1214717) has the molecular formula C32H26N2O3 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide
PubChem CID1214717
Molecular FormulaC32H26N2O3
Molecular Weight486.57 g/mol
Exact Mass486.19
IUPAC NameN-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)N(CCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc2ccccc12
InChIInChI=1S/C32H26N2O3/c1-19(35)33(26-16-8-10-20-9-2-3-11-21(20)26)17-18-34-31(36)29-27-22-12-4-5-13-23(22)28(30(29)32(34)37)25-15-7-6-14-24(25)27/h2-16,27-30H,17-18H2,1H3/t27?,28?,29-,30+
InChIKeyZBOIRTQQRAVCDP-QYVRTBTHSA-N
XLogP5.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide (CID 1214717) is N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide is CC(=O)N(CCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide?
The InChIKey is ZBOIRTQQRAVCDP-QYVRTBTHSA-N. The full InChI is InChI=1S/C32H26N2O3/c1-19(35)33(26-16-8-10-20-9-2-3-11-21(20)26)17-18-34-31(36)29-27-22-12-4-5-13-23(22)28(30(29)32(34)37)25-15-7-6-14-24(25)27/h2-16,27-30H,17-18H2,1H3/t27?,28?,29-,30+.
What are the key properties of N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide?
N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide has a molecular weight of 486.57 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]ethyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1214717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).