N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide

C16H24N2O — CID 47092803

IUPACN-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
SMILESCCCCN1Cc2ccc(NC(=O)C(C)C)cc2C1
InChIInChI=1S/C16H24N2O/c1-4-5-8-18-10-13-6-7-15(9-14(13)11-18)17-16(19)12(2)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)
InChIKeyVMQKSEJBBFFPTG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.40
Rot. Bonds5

About N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide

N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide (PubChem CID 47092803) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
PubChem CID47092803
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
SMILESCCCCN1Cc2ccc(NC(=O)C(C)C)cc2C1
InChIInChI=1S/C16H24N2O/c1-4-5-8-18-10-13-6-7-15(9-14(13)11-18)17-16(19)12(2)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)
InChIKeyVMQKSEJBBFFPTG-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide
CID 110459883
2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459877
1-(2-pentyl-1,3-dihydroisoindol-5-yl)ethanone
CID 82163868
2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
CID 19064672
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126803379
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]-3-oxobutanamide
CID 110460653
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
CID 110459839
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 28811074
1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea
CID 110443867
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide?
The IUPAC name of N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide (CID 47092803) is N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide is CCCCN1Cc2ccc(NC(=O)C(C)C)cc2C1.
What is the InChIKey of N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide?
The InChIKey is VMQKSEJBBFFPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-8-18-10-13-6-7-15(9-14(13)11-18)17-16(19)12(2)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide?
N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 47092803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).