N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide

C19H23N3O — CID 136570349

IUPACN-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
SMILESCCC1c2ccccc2CN1C(=O)Nc1cc(C)cc(CN)c1
InChIInChI=1S/C19H23N3O/c1-3-18-17-7-5-4-6-15(17)12-22(18)19(23)21-16-9-13(2)8-14(10-16)11-20/h4-10,18H,3,11-12,20H2,1-2H3,(H,21,23)
InChIKeyMJSCFGPBPQIVBY-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.95
Rot. Bonds3

About N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide

N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide (PubChem CID 136570349) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
PubChem CID136570349
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
SMILESCCC1c2ccccc2CN1C(=O)Nc1cc(C)cc(CN)c1
InChIInChI=1S/C19H23N3O/c1-3-18-17-7-5-4-6-15(17)12-22(18)19(23)21-16-9-13(2)8-14(10-16)11-20/h4-10,18H,3,11-12,20H2,1-2H3,(H,21,23)
InChIKeyMJSCFGPBPQIVBY-UHFFFAOYSA-N
XLogP3.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
CID 167902867
ethyl 2-[2-[(3,5-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 46274624
N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide
CID 131209369
N-[[4-(1-ethyl-1,3-dihydroisoindole-2-carbonyl)phenyl]methyl]prop-2-enamide
CID 166411170
ethyl 1-methyl-1,3-dihydroisoindole-2-carboxylate
CID 126758255
(4S)-N-(3,5-dimethylphenyl)-4-phenyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747768
(1R)-1-ethyl-N-[6-(methoxymethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99577079
(4S)-4-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747124
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
(4S)-4-(3-chlorophenyl)-N-(3,5-dimethylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92748562
(1S)-1-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703590
2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide
CID 166257616

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide (CID 136570349) is N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide is CCC1c2ccccc2CN1C(=O)Nc1cc(C)cc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is MJSCFGPBPQIVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-18-17-7-5-4-6-15(17)12-22(18)19(23)21-16-9-13(2)8-14(10-16)11-20/h4-10,18H,3,11-12,20H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 136570349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).