N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide

C25H29NO3 — CID 71070702

IUPACN-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide
SMILESO=C(NC1CCC2CC3CC(CO)(C2)CC31)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c27-16-25-13-17-9-10-23(22(15-25)19(11-17)14-25)26-24(28)18-5-4-8-21(12-18)29-20-6-2-1-3-7-20/h1-8,12,17,19,22-23,27H,9-11,13-16H2,(H,26,28)
InChIKeyRFZNUOPPQCJEKI-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.79
Rot. Bonds5

About N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide

N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide (PubChem CID 71070702) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide
PubChem CID71070702
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide
SMILESO=C(NC1CCC2CC3CC(CO)(C2)CC31)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c27-16-25-13-17-9-10-23(22(15-25)19(11-17)14-25)26-24(28)18-5-4-8-21(12-18)29-20-6-2-1-3-7-20/h1-8,12,17,19,22-23,27H,9-11,13-16H2,(H,26,28)
InChIKeyRFZNUOPPQCJEKI-UHFFFAOYSA-N
XLogP4.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide
CID 70890788
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
(2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 102273254
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide
CID 71053824
8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide
CID 71053776

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide (CID 71070702) is N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide is O=C(NC1CCC2CC3CC(CO)(C2)CC31)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide?
The InChIKey is RFZNUOPPQCJEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c27-16-25-13-17-9-10-23(22(15-25)19(11-17)14-25)26-24(28)18-5-4-8-21(12-18)29-20-6-2-1-3-7-20/h1-8,12,17,19,22-23,27H,9-11,13-16H2,(H,26,28).
What are the key properties of N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide?
N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide has a molecular weight of 391.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide is sourced from PubChem (CID 71070702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).