N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide

C21H27NO3 — CID 90498496

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(C)(O)CCc2ccccc2)cc1
InChIInChI=1S/C21H27NO3/c1-16(2)25-19-11-9-18(10-12-19)20(23)22-15-21(3,24)14-13-17-7-5-4-6-8-17/h4-12,16,24H,13-15H2,1-3H3,(H,22,23)
InChIKeyFOBJEKGCYDPGFT-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.59
Rot. Bonds8

About N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide (PubChem CID 90498496) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
PubChem CID90498496
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(C)(O)CCc2ccccc2)cc1
InChIInChI=1S/C21H27NO3/c1-16(2)25-19-11-9-18(10-12-19)20(23)22-15-21(3,24)14-13-17-7-5-4-6-8-17/h4-12,16,24H,13-15H2,1-3H3,(H,22,23)
InChIKeyFOBJEKGCYDPGFT-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
CID 90499285
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210472

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide (CID 90498496) is N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(C)(O)CCc2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide?
The InChIKey is FOBJEKGCYDPGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16(2)25-19-11-9-18(10-12-19)20(23)22-15-21(3,24)14-13-17-7-5-4-6-8-17/h4-12,16,24H,13-15H2,1-3H3,(H,22,23).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide has a molecular weight of 341.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 90498496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).