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

C15H22N2O — CID 110459877

IUPAC2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)CN(C(C)C)C2
InChIInChI=1S/C15H22N2O/c1-10(2)15(18)16-14-6-5-12-8-17(11(3)4)9-13(12)7-14/h5-7,10-11H,8-9H2,1-4H3,(H,16,18)
InChIKeyHVUSDLYHEAODSN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.01
Rot. Bonds3

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

2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide (PubChem CID 110459877) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
PubChem CID110459877
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)CN(C(C)C)C2
InChIInChI=1S/C15H22N2O/c1-10(2)15(18)16-14-6-5-12-8-17(11(3)4)9-13(12)7-14/h5-7,10-11H,8-9H2,1-4H3,(H,16,18)
InChIKeyHVUSDLYHEAODSN-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide
CID 110459883
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
CID 110461340
N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
CID 47092803
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
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
CID 58181448
3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 26409001
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
CID 163233006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide (CID 110459877) is 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide is CC(C)C(=O)Nc1ccc2c(c1)CN(C(C)C)C2.
What is the InChIKey of 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide?
The InChIKey is HVUSDLYHEAODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)15(18)16-14-6-5-12-8-17(11(3)4)9-13(12)7-14/h5-7,10-11H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide?
2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 110459877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).