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

C13H18N2O — CID 21050646

IUPACN-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2c(c1)CN(C)C2
InChIInChI=1S/C13H18N2O/c1-3-13(16)14-7-10-4-5-11-8-15(2)9-12(11)6-10/h4-6H,3,7-9H2,1-2H3,(H,14,16)
InChIKeyGSYOFZUHHVOZNM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds3

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

N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide (PubChem CID 21050646) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
PubChem CID21050646
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2c(c1)CN(C)C2
InChIInChI=1S/C13H18N2O/c1-3-13(16)14-7-10-4-5-11-8-15(2)9-12(11)6-10/h4-6H,3,7-9H2,1-2H3,(H,14,16)
InChIKeyGSYOFZUHHVOZNM-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide
CID 141413886
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825
N-[(4-methyl-3-sulfanylphenyl)methyl]propanamide
CID 91363182
N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163854
N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide
CID 89385442
N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
N-[(4-acetylphenyl)methyl]propanamide
CID 20825268

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide?
The IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide (CID 21050646) is N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide is CCC(=O)NCc1ccc2c(c1)CN(C)C2.
What is the InChIKey of N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide?
The InChIKey is GSYOFZUHHVOZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-13(16)14-7-10-4-5-11-8-15(2)9-12(11)6-10/h4-6H,3,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide?
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide is sourced from PubChem (CID 21050646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).