N-cyclohexyl-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]acetamide

C26H26N2O3 — CID 1216809

IUPACN-cyclohexyl-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]acetamide
SMILESO=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NC1CCCCC1
InChIInChI=1S/C26H26N2O3/c29-20(27-15-8-2-1-3-9-15)14-28-25(30)23-21-16-10-4-5-11-17(16)22(24(23)26(28)31)19-13-7-6-12-18(19)21/h4-7,10-13,15,21-24H,1-3,8-9,14H2,(H,27,29)/t21?,22?,23-,24-/m1/s1
InChIKeyNULXRBYISCDBJG-SNDHGLFQSA-N
MW414.51 g/mol
LogP3.33
Rot. Bonds3

About N-cyclohexyl-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]acetamide

N-cyclohexyl-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]acetamide (PubChem CID 1216809) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclohexyl-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]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-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]acetamide
PubChem CID1216809
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-cyclohexyl-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]acetamide
SMILESO=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NC1CCCCC1
InChIInChI=1S/C26H26N2O3/c29-20(27-15-8-2-1-3-9-15)14-28-25(30)23-21-16-10-4-5-11-17(16)22(24(23)26(28)31)19-13-7-6-12-18(19)21/h4-7,10-13,15,21-24H,1-3,8-9,14H2,(H,27,29)/t21?,22?,23-,24-/m1/s1
InChIKeyNULXRBYISCDBJG-SNDHGLFQSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-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]acetamide with MolForge

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Related Compounds

2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
CID 43255031
N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
CID 3534274
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-hydroxyphenyl)acetamide
CID 4197157
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
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
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148325
N-cycloheptyl-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 44777353
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
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]-N-(4-methoxyphenyl)acetamide
CID 1472554

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-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]acetamide?
The IUPAC name of N-cyclohexyl-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]acetamide (CID 1216809) is N-cyclohexyl-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]acetamide.
What is the SMILES notation for N-cyclohexyl-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]acetamide?
The canonical SMILES for N-cyclohexyl-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]acetamide is O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-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]acetamide?
The InChIKey is NULXRBYISCDBJG-SNDHGLFQSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-20(27-15-8-2-1-3-9-15)14-28-25(30)23-21-16-10-4-5-11-17(16)22(24(23)26(28)31)19-13-7-6-12-18(19)21/h4-7,10-13,15,21-24H,1-3,8-9,14H2,(H,27,29)/t21?,22?,23-,24-/m1/s1.
What are the key properties of N-cyclohexyl-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]acetamide?
N-cyclohexyl-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]acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-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]acetamide is sourced from PubChem (CID 1216809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).