N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide

C14H18N2O — CID 110459292

IUPACN-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C14H18N2O/c1-2-14(17)15-12-4-3-10-8-16(13-5-6-13)9-11(10)7-12/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyIPIGKMGQJLXQHK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.51
Rot. Bonds3

About N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide

N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide (PubChem CID 110459292) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
PubChem CID110459292
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C14H18N2O/c1-2-14(17)15-12-4-3-10-8-16(13-5-6-13)9-11(10)7-12/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyIPIGKMGQJLXQHK-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110461021
N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide
CID 110460533
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
CID 110461592
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110460211
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
CID 110459839
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]-3-oxobutanamide
CID 110460653
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol
CID 117291887
N-(4-bromo-3-cyclopropylphenyl)propanamide
CID 68922613
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide
CID 94695229
tert-butyl 5-(cyclopropanecarbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 153322492
3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)-3-methylbutanoic acid
CID 117402376

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
The IUPAC name of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide (CID 110459292) is N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide is CCC(=O)Nc1ccc2c(c1)CN(C1CC1)C2.
What is the InChIKey of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
The InChIKey is IPIGKMGQJLXQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-14(17)15-12-4-3-10-8-16(13-5-6-13)9-11(10)7-12/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide has a molecular weight of 230.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 110459292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).