2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione

C23H26N2O2 — CID 30344627

IUPAC2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione
SMILESCN(CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H26N2O2/c1-24(21-14-8-10-17-9-2-3-11-18(17)21)15-6-7-16-25-22(26)19-12-4-5-13-20(19)23(25)27/h2-5,9,11-13,21H,6-8,10,14-16H2,1H3/t21-/m1/s1
InChIKeyNFESBHPUDKZABY-OAQYLSRUSA-N
MW362.47 g/mol
LogP4.07
Rot. Bonds6

About 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione

2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione (PubChem CID 30344627) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione
PubChem CID30344627
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione
SMILESCN(CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H26N2O2/c1-24(21-14-8-10-17-9-2-3-11-18(17)21)15-6-7-16-25-22(26)19-12-4-5-13-20(19)23(25)27/h2-5,9,11-13,21H,6-8,10,14-16H2,1H3/t21-/m1/s1
InChIKeyNFESBHPUDKZABY-OAQYLSRUSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione with MolForge

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Related Compounds

methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[2-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 10548389
(1R)-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 124614462
(1R)-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 59423288
2-[4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butyl]isoindole-1,3-dione
CID 69178712
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95149953

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione (CID 30344627) is 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione is CN(CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione?
The InChIKey is NFESBHPUDKZABY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-24(21-14-8-10-17-9-2-3-11-18(17)21)15-6-7-16-25-22(26)19-12-4-5-13-20(19)23(25)27/h2-5,9,11-13,21H,6-8,10,14-16H2,1H3/t21-/m1/s1.
What are the key properties of 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione?
2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione has a molecular weight of 362.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione is sourced from PubChem (CID 30344627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).