(3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

C24H26N2O3 — CID 92705550

IUPAC(3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC[C@@H]1Cn2cc(C(=O)NCCCc3ccccc3)c(=O)c3c(C)ccc(c32)O1
InChIInChI=1S/C24H26N2O3/c1-3-18-14-26-15-19(23(27)21-16(2)11-12-20(29-18)22(21)26)24(28)25-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,18H,3,7,10,13-14H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyJACBTQIEPZUDHT-GOSISDBHSA-N
MW390.48 g/mol
LogP3.84
Rot. Bonds6

About (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

(3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (PubChem CID 92705550) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
PubChem CID92705550
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC[C@@H]1Cn2cc(C(=O)NCCCc3ccccc3)c(=O)c3c(C)ccc(c32)O1
InChIInChI=1S/C24H26N2O3/c1-3-18-14-26-15-19(23(27)21-16(2)11-12-20(29-18)22(21)26)24(28)25-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,18H,3,7,10,13-14H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyJACBTQIEPZUDHT-GOSISDBHSA-N
XLogP3.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide with MolForge

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Related Compounds

N-[3-[benzyl(ethyl)amino]propyl]-8-chloro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
CID 20907416
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
CID 20907299
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42246054
5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 68674787
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
CID 6626045
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The IUPAC name of (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (CID 92705550) is (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The canonical SMILES for (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is CC[C@@H]1Cn2cc(C(=O)NCCCc3ccccc3)c(=O)c3c(C)ccc(c32)O1.
What is the InChIKey of (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The InChIKey is JACBTQIEPZUDHT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-18-14-26-15-19(23(27)21-16(2)11-12-20(29-18)22(21)26)24(28)25-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,18H,3,7,10,13-14H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
(3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-8-methyl-10-oxo-N-(3-phenylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is sourced from PubChem (CID 92705550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).