N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide

C16H24N2O — CID 95145433

IUPACN-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide
SMILESCCC(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2
InChIInChI=1S/C16H24N2O/c1-5-16(19)17-15-8-6-7-13-9-18(10-14(13)15)12(4)11(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,19)/t12-/m0/s1
InChIKeyWCOTXSYDVSIPJP-LBPRGKRZSA-N
MW260.38 g/mol
LogP3.40
Rot. Bonds4

About N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide

N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide (PubChem CID 95145433) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide
PubChem CID95145433
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide
SMILESCCC(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2
InChIInChI=1S/C16H24N2O/c1-5-16(19)17-15-8-6-7-13-9-18(10-14(13)15)12(4)11(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,19)/t12-/m0/s1
InChIKeyWCOTXSYDVSIPJP-LBPRGKRZSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(ethylcarbamoyl)-2-[[2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]amino]acetamide
CID 95139581
N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide
CID 154814589
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
N-[(5-chlorothiadiazol-4-yl)methyl]-2-[(2R)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-amine
CID 99848750
N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide
CID 84601084
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylpentanamide
CID 167884999
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide
CID 97259848

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide?
The IUPAC name of N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide (CID 95145433) is N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide.
What is the SMILES notation for N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide?
The canonical SMILES for N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide is CCC(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2.
What is the InChIKey of N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide?
The InChIKey is WCOTXSYDVSIPJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-16(19)17-15-8-6-7-13-9-18(10-14(13)15)12(4)11(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide?
N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide is sourced from PubChem (CID 95145433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).