N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide

C18H25N3O2 — CID 618386

IUPACN-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C18H25N3O2/c1-14(22)19-11-18(23)16-9-20-7-8-21(10-16)13-17(18,12-20)15-5-3-2-4-6-15/h2-6,16,23H,7-13H2,1H3,(H,19,22)
InChIKeyUPFAAHDROSAUNC-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.05
Rot. Bonds3

About N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide

N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide (PubChem CID 618386) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide
PubChem CID618386
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C18H25N3O2/c1-14(22)19-11-18(23)16-9-20-7-8-21(10-16)13-17(18,12-20)15-5-3-2-4-6-15/h2-6,16,23H,7-13H2,1H3,(H,19,22)
InChIKeyUPFAAHDROSAUNC-UHFFFAOYSA-N
XLogP0.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide?
The IUPAC name of N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide (CID 618386) is N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide.
What is the SMILES notation for N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide?
The canonical SMILES for N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide is CC(=O)NCC1(O)C2CN3CCN(C2)CC1(c1ccccc1)C3.
What is the InChIKey of N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide?
The InChIKey is UPFAAHDROSAUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(22)19-11-18(23)16-9-20-7-8-21(10-16)13-17(18,12-20)15-5-3-2-4-6-15/h2-6,16,23H,7-13H2,1H3,(H,19,22).
What are the key properties of N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide?
N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-hydroxy-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)methyl]acetamide is sourced from PubChem (CID 618386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).