4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide

C20H25N3O — CID 122559119

IUPAC4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide
SMILESCN1Cc2ccc(CN(C)C(=O)c3ccc(CCN)cc3)cc2C1
InChIInChI=1S/C20H25N3O/c1-22-13-18-8-5-16(11-19(18)14-22)12-23(2)20(24)17-6-3-15(4-7-17)9-10-21/h3-8,11H,9-10,12-14,21H2,1-2H3
InChIKeyJPELYAQHJHYSKW-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.41
Rot. Bonds5

About 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide

4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide (PubChem CID 122559119) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide
PubChem CID122559119
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide
SMILESCN1Cc2ccc(CN(C)C(=O)c3ccc(CCN)cc3)cc2C1
InChIInChI=1S/C20H25N3O/c1-22-13-18-8-5-16(11-19(18)14-22)12-23(2)20(24)17-6-3-15(4-7-17)9-10-21/h3-8,11H,9-10,12-14,21H2,1-2H3
InChIKeyJPELYAQHJHYSKW-UHFFFAOYSA-N
XLogP2.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 119071188
(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide
CID 126443036
formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide
CID 154908958
1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide
CID 70742720
2-ethoxy-N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide;formic acid
CID 154909390
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
1-methyl-1-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 126444909
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119652718

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide (CID 122559119) is 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide is CN1Cc2ccc(CN(C)C(=O)c3ccc(CCN)cc3)cc2C1.
What is the InChIKey of 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide?
The InChIKey is JPELYAQHJHYSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22-13-18-8-5-16(11-19(18)14-22)12-23(2)20(24)17-6-3-15(4-7-17)9-10-21/h3-8,11H,9-10,12-14,21H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide?
4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide is sourced from PubChem (CID 122559119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).