N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide

C33H24N2O4 — CID 27788486

IUPACN-dibenzofuran-3-yl-N-[[(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]methyl]acetamide
SMILESCC(=O)N(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C33H24N2O4/c1-18(36)34(19-14-15-21-20-8-6-7-13-26(20)39-27(21)16-19)17-35-32(37)30-28-22-9-2-3-10-23(22)29(31(30)33(35)38)25-12-5-4-11-24(25)28/h2-16,28-31H,17H2,1H3/t28?,29?,30-,31+
InChIKeyMLRGUHDJDQDCBO-UDPYREPESA-N
MW512.57 g/mol
LogP5.79
Rot. Bonds3

About N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide

N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide (PubChem CID 27788486) has the molecular formula C33H24N2O4 and a molecular weight of 512.57 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[[(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]methyl]acetamide
PubChem CID27788486
Molecular FormulaC33H24N2O4
Molecular Weight512.57 g/mol
Exact Mass512.17
IUPAC NameN-dibenzofuran-3-yl-N-[[(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]methyl]acetamide
SMILESCC(=O)N(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C33H24N2O4/c1-18(36)34(19-14-15-21-20-8-6-7-13-26(20)39-27(21)16-19)17-35-32(37)30-28-22-9-2-3-10-23(22)29(31(30)33(35)38)25-12-5-4-11-24(25)28/h2-16,28-31H,17H2,1H3/t28?,29?,30-,31+
InChIKeyMLRGUHDJDQDCBO-UDPYREPESA-N
XLogP5.79
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.57
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide with MolForge

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Related Compounds

N-[(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)methyl]-N-(4-methoxyphenyl)acetamide
CID 3098052
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
N-dibenzofuran-3-yl-2-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 11901390
N-dibenzofuran-3-yl-2-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 7393941
N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide
CID 164598411
N-iodo-N-methyldibenzofuran-3-amine
CID 155456331
N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 134836166
methyl 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
CID 1472539
4-[(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]butanoate
CID 7109245
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8892864
N-[[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]-N-(2-methylphenyl)acetamide
CID 6541645
N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 155041103

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide?
The IUPAC name of N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide (CID 27788486) is N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide?
The canonical SMILES for N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide is CC(=O)N(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide?
The InChIKey is MLRGUHDJDQDCBO-UDPYREPESA-N. The full InChI is InChI=1S/C33H24N2O4/c1-18(36)34(19-14-15-21-20-8-6-7-13-26(20)39-27(21)16-19)17-35-32(37)30-28-22-9-2-3-10-23(22)29(31(30)33(35)38)25-12-5-4-11-24(25)28/h2-16,28-31H,17H2,1H3/t28?,29?,30-,31+.
What are the key properties of N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide?
N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide has a molecular weight of 512.57 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[[(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]methyl]acetamide is sourced from PubChem (CID 27788486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).