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

C23H22N2O3 — CID 122208252

IUPACN-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C)C(=O)[C@@H]12
InChIInChI=1S/C23H22N2O3/c1-12(24-13(2)26)23-16-10-6-4-8-14(16)18(15-9-5-7-11-17(15)23)19-20(23)22(28)25(3)21(19)27/h4-12,18-20H,1-3H3,(H,24,26)/t12?,18?,19-,20+,23?/m0/s1
InChIKeyCCMJHWWMKGZALT-DKVUBORISA-N
MW374.44 g/mol
LogP2.19
Rot. Bonds2

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

N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide (PubChem CID 122208252) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide
PubChem CID122208252
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C)C(=O)[C@@H]12
InChIInChI=1S/C23H22N2O3/c1-12(24-13(2)26)23-16-10-6-4-8-14(16)18(15-9-5-7-11-17(15)23)19-20(23)22(28)25(3)21(19)27/h4-12,18-20H,1-3H3,(H,24,26)/t12?,18?,19-,20+,23?/m0/s1
InChIKeyCCMJHWWMKGZALT-DKVUBORISA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide?
The IUPAC name of N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide (CID 122208252) is N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide is CC(=O)NC(C)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C)C(=O)[C@@H]12.
What is the InChIKey of N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide?
The InChIKey is CCMJHWWMKGZALT-DKVUBORISA-N. The full InChI is InChI=1S/C23H22N2O3/c1-12(24-13(2)26)23-16-10-6-4-8-14(16)18(15-9-5-7-11-17(15)23)19-20(23)22(28)25(3)21(19)27/h4-12,18-20H,1-3H3,(H,24,26)/t12?,18?,19-,20+,23?/m0/s1.
What are the key properties of N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide?
N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide is sourced from PubChem (CID 122208252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).