N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide

C18H19N3O — CID 58727122

IUPACN-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCNC2=NCc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-13-5-4-7-14(11-13)18(22)20-10-9-19-17-16-8-3-2-6-15(16)12-21-17/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyQFUJKLXCKURPBZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide

N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide (PubChem CID 58727122) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide
PubChem CID58727122
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCNC2=NCc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-13-5-4-7-14(11-13)18(22)20-10-9-19-17-16-8-3-2-6-15(16)12-21-17/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyQFUJKLXCKURPBZ-UHFFFAOYSA-N
XLogP2.27
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(3H-isoindol-1-ylamino)ethyl]benzamide
CID 58727026
4-bromo-N-[2-(3H-isoindol-1-ylamino)ethyl]benzamide
CID 58727314
3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide
CID 20820016
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 110985230
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide (CID 58727122) is N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCNC2=NCc3ccccc32)c1.
What is the InChIKey of N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide?
The InChIKey is QFUJKLXCKURPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-5-4-7-14(11-13)18(22)20-10-9-19-17-16-8-3-2-6-15(16)12-21-17/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide?
N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide is sourced from PubChem (CID 58727122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).