3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide

C24H29N3O2 — CID 131912111

IUPAC3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
SMILESO=C(CCOc1ccccc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C24H29N3O2/c28-22(11-14-29-21-9-5-2-6-10-21)25-23-19-15-26-12-13-27(16-19)18-24(23,17-26)20-7-3-1-4-8-20/h1-10,19,23H,11-18H2,(H,25,28)
InChIKeyJXDUGQTZUWLOQP-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.14
Rot. Bonds6

About 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide

3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide (PubChem CID 131912111) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide.

Molecular Properties

Compound Name3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
PubChem CID131912111
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
SMILESO=C(CCOc1ccccc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C24H29N3O2/c28-22(11-14-29-21-9-5-2-6-10-21)25-23-19-15-26-12-13-27(16-19)18-24(23,17-26)20-7-3-1-4-8-20/h1-10,19,23H,11-18H2,(H,25,28)
InChIKeyJXDUGQTZUWLOQP-UHFFFAOYSA-N
XLogP2.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131946938
2-[4-(hydroxymethyl)phenyl]-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131923030
3-(2-methylimidazol-1-yl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
CID 131936378
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide
CID 131895417
3-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)thiophene-2-carboxamide
CID 91835034
1-(difluoromethyl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrazole-3-carboxamide
CID 131892112
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
CID 43594528
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide
CID 79698744
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide?
The IUPAC name of 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide (CID 131912111) is 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide.
What is the SMILES notation for 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide?
The canonical SMILES for 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide is O=C(CCOc1ccccc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3.
What is the InChIKey of 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide?
The InChIKey is JXDUGQTZUWLOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22(11-14-29-21-9-5-2-6-10-21)25-23-19-15-26-12-13-27(16-19)18-24(23,17-26)20-7-3-1-4-8-20/h1-10,19,23H,11-18H2,(H,25,28).
What are the key properties of 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide?
3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide is sourced from PubChem (CID 131912111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).