N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide

C20H22N2O3 — CID 86872801

IUPACN-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)Nc2ccc3c(c2)C(=O)NC3)cc1
InChIInChI=1S/C20H22N2O3/c1-13(2)14-4-7-17(8-5-14)25-10-9-19(23)22-16-6-3-15-12-21-20(24)18(15)11-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQIRMFWIBTWVBBE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.46
Rot. Bonds6

About N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide

N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide (PubChem CID 86872801) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide
PubChem CID86872801
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)Nc2ccc3c(c2)C(=O)NC3)cc1
InChIInChI=1S/C20H22N2O3/c1-13(2)14-4-7-17(8-5-14)25-10-9-19(23)22-16-6-3-15-12-21-20(24)18(15)11-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQIRMFWIBTWVBBE-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 56508320
N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide
CID 86872751
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
1-(4-butoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524964
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one
CID 130611791
2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
CID 90524772
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide (CID 86872801) is N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide is CC(C)c1ccc(OCCC(=O)Nc2ccc3c(c2)C(=O)NC3)cc1.
What is the InChIKey of N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is QIRMFWIBTWVBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)14-4-7-17(8-5-14)25-10-9-19(23)22-16-6-3-15-12-21-20(24)18(15)11-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide?
N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 86872801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).