N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide

C16H22N2O — CID 110459839

IUPACN-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
SMILESCC(C)CN1Cc2ccc(NC(=O)C3CC3)cc2C1
InChIInChI=1S/C16H22N2O/c1-11(2)8-18-9-13-5-6-15(7-14(13)10-18)17-16(19)12-3-4-12/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyFGADZLRHGNKNAR-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide

N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide (PubChem CID 110459839) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
PubChem CID110459839
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
SMILESCC(C)CN1Cc2ccc(NC(=O)C3CC3)cc2C1
InChIInChI=1S/C16H22N2O/c1-11(2)8-18-9-13-5-6-15(7-14(13)10-18)17-16(19)12-3-4-12/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyFGADZLRHGNKNAR-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.01
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
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]-3-oxobutanamide
CID 110460653
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
CID 110461340
tert-butyl 5-(cyclopropanecarbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 153322492
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropanecarboxamide
CID 16943500
N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16942958
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16930858
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16942823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide (CID 110459839) is N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide is CC(C)CN1Cc2ccc(NC(=O)C3CC3)cc2C1.
What is the InChIKey of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide?
The InChIKey is FGADZLRHGNKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)8-18-9-13-5-6-15(7-14(13)10-18)17-16(19)12-3-4-12/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide?
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110459839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).