N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide

C13H18N2O — CID 110459252

IUPACN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(C(C)C)C2
InChIInChI=1S/C13H18N2O/c1-9(2)15-7-11-4-5-13(14-10(3)16)6-12(11)8-15/h4-6,9H,7-8H2,1-3H3,(H,14,16)
InChIKeyLJMRYUWLUCZVBO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.37
Rot. Bonds2

About N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide

N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide (PubChem CID 110459252) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
PubChem CID110459252
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(C(C)C)C2
InChIInChI=1S/C13H18N2O/c1-9(2)15-7-11-4-5-13(14-10(3)16)6-12(11)8-15/h4-6,9H,7-8H2,1-3H3,(H,14,16)
InChIKeyLJMRYUWLUCZVBO-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459877
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
CID 110461340
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide
CID 110461172
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide
CID 110475376
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]-3-oxobutanamide
CID 110460653
2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide
CID 110459883
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
CID 110459839
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
CID 47092803
2,2-dimethyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117408085
ethyl 2-oxo-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetate
CID 117407563

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide?
The IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide (CID 110459252) is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)CN(C(C)C)C2.
What is the InChIKey of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide?
The InChIKey is LJMRYUWLUCZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)15-7-11-4-5-13(14-10(3)16)6-12(11)8-15/h4-6,9H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide?
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide has a molecular weight of 218.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide is sourced from PubChem (CID 110459252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).