(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide

C19H21NO3 — CID 40747363

IUPAC(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)20-19(22)14(3)23-17-11-9-16(10-12-17)18(21)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyGITOMMIPURKILB-CQSZACIVSA-N
MW311.38 g/mol
LogP3.21
Rot. Bonds6

About (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide

(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 40747363) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
PubChem CID40747363
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)20-19(22)14(3)23-17-11-9-16(10-12-17)18(21)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyGITOMMIPURKILB-CQSZACIVSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7717807
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
(2R)-2-(4-benzoylphenoxy)-N'-(3-phenoxypropanoyl)propanehydrazide
CID 41312678
2-[4-[1-(methylamino)ethyl]phenoxy]-N-propan-2-ylpropanamide
CID 43279209
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82915898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide (CID 40747363) is (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is GITOMMIPURKILB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)20-19(22)14(3)23-17-11-9-16(10-12-17)18(21)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide?
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 40747363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).