N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide

C21H25N3O2 — CID 134037647

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide
SMILESO=C(NC1CCC2NNCC2C1)c1ccccc1COc1ccccc1
InChIInChI=1S/C21H25N3O2/c25-21(23-17-10-11-20-16(12-17)13-22-24-20)19-9-5-4-6-15(19)14-26-18-7-2-1-3-8-18/h1-9,16-17,20,22,24H,10-14H2,(H,23,25)
InChIKeyUARMESFZGVMXOF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.64
Rot. Bonds5

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide (PubChem CID 134037647) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide
PubChem CID134037647
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide
SMILESO=C(NC1CCC2NNCC2C1)c1ccccc1COc1ccccc1
InChIInChI=1S/C21H25N3O2/c25-21(23-17-10-11-20-16(12-17)13-22-24-20)19-9-5-4-6-15(19)14-26-18-7-2-1-3-8-18/h1-9,16-17,20,22,24H,10-14H2,(H,23,25)
InChIKeyUARMESFZGVMXOF-UHFFFAOYSA-N
XLogP2.64
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119451945
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CID 35945918
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087
N-[1-[2-(phenoxymethyl)benzoyl]piperidin-4-yl]benzamide
CID 18131786
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 134050806
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
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CID 129012229
cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
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CID 114199766
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide
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N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide (CID 134037647) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide is O=C(NC1CCC2NNCC2C1)c1ccccc1COc1ccccc1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide?
The InChIKey is UARMESFZGVMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(23-17-10-11-20-16(12-17)13-22-24-20)19-9-5-4-6-15(19)14-26-18-7-2-1-3-8-18/h1-9,16-17,20,22,24H,10-14H2,(H,23,25).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 134037647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).