N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide

C19H23NO3 — CID 95367999

IUPACN-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)23-17-11-9-15(10-12-17)18(21)20-13-19(3,22)16-7-5-4-6-8-16/h4-12,14,22H,13H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyVZSIGOXSPQPFLS-IBGZPJMESA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide

N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide (PubChem CID 95367999) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
PubChem CID95367999
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)23-17-11-9-15(10-12-17)18(21)20-13-19(3,22)16-7-5-4-6-8-16/h4-12,14,22H,13H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyVZSIGOXSPQPFLS-IBGZPJMESA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
CID 90499285
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide (CID 95367999) is N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC[C@](C)(O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide?
The InChIKey is VZSIGOXSPQPFLS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)23-17-11-9-15(10-12-17)18(21)20-13-19(3,22)16-7-5-4-6-8-16/h4-12,14,22H,13H2,1-3H3,(H,20,21)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide?
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 95367999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).