N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide

C18H21NO2 — CID 92666015

IUPACN-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-17-12-8-7-11-16(17)18(20)19-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyWSOXSKOIHHQZNE-CQSZACIVSA-N
MW283.37 g/mol
LogP3.96
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide

N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide (PubChem CID 92666015) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
PubChem CID92666015
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-17-12-8-7-11-16(17)18(20)19-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyWSOXSKOIHHQZNE-CQSZACIVSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045880
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
N'-(2,2-diphenylacetyl)-2-propan-2-yloxybenzohydrazide
CID 17045646
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 1300335

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide (CID 92666015) is N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide?
The InChIKey is WSOXSKOIHHQZNE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)21-17-12-8-7-11-16(17)18(20)19-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide?
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 92666015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).