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

C16H24N2O — CID 110459883

IUPAC2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide
SMILESCC(C)CN1Cc2ccc(NC(=O)C(C)C)cc2C1
InChIInChI=1S/C16H24N2O/c1-11(2)8-18-9-13-5-6-15(7-14(13)10-18)17-16(19)12(3)4/h5-7,11-12H,8-10H2,1-4H3,(H,17,19)
InChIKeyUFEVDDCFNMHQKM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.25
Rot. Bonds4

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

2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide (PubChem CID 110459883) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide
PubChem CID110459883
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide
SMILESCC(C)CN1Cc2ccc(NC(=O)C(C)C)cc2C1
InChIInChI=1S/C16H24N2O/c1-11(2)8-18-9-13-5-6-15(7-14(13)10-18)17-16(19)12(3)4/h5-7,11-12H,8-10H2,1-4H3,(H,17,19)
InChIKeyUFEVDDCFNMHQKM-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
CID 47092803
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)acetamide
CID 110459252
N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163806
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
CID 58181448
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide (CID 110459883) is 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide is CC(C)CN1Cc2ccc(NC(=O)C(C)C)cc2C1.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide?
The InChIKey is UFEVDDCFNMHQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)8-18-9-13-5-6-15(7-14(13)10-18)17-16(19)12(3)4/h5-7,11-12H,8-10H2,1-4H3,(H,17,19).
What are the key properties of 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide?
2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]propanamide is sourced from PubChem (CID 110459883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).