1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one

C25H34N2O — CID 67758834

IUPAC1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one
SMILESCCN(CCCCCN1C(=O)Cc2cc(C(C)C)ccc21)Cc1ccccc1
InChIInChI=1S/C25H34N2O/c1-4-26(19-21-11-7-5-8-12-21)15-9-6-10-16-27-24-14-13-22(20(2)3)17-23(24)18-25(27)28/h5,7-8,11-14,17,20H,4,6,9-10,15-16,18-19H2,1-3H3
InChIKeyQGEDJUSJGASZHQ-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.39
Rot. Bonds10

About 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one

1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one (PubChem CID 67758834) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one.

Molecular Properties

Compound Name1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one
PubChem CID67758834
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one
SMILESCCN(CCCCCN1C(=O)Cc2cc(C(C)C)ccc21)Cc1ccccc1
InChIInChI=1S/C25H34N2O/c1-4-26(19-21-11-7-5-8-12-21)15-9-6-10-16-27-24-14-13-22(20(2)3)17-23(24)18-25(27)28/h5,7-8,11-14,17,20H,4,6,9-10,15-16,18-19H2,1-3H3
InChIKeyQGEDJUSJGASZHQ-UHFFFAOYSA-N
XLogP5.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ropinirole
CID 5095
N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
1-Phenyloxindole
CID 314787
1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328618
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 11054136
2-[4-(dimethylamino)phenyl]-6-methyl-3H-isoindol-1-one
CID 25266665

Frequently Asked Questions

What is the IUPAC name of 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one?
The IUPAC name of 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one (CID 67758834) is 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one.
What is the SMILES notation for 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one?
The canonical SMILES for 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one is CCN(CCCCCN1C(=O)Cc2cc(C(C)C)ccc21)Cc1ccccc1.
What is the InChIKey of 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one?
The InChIKey is QGEDJUSJGASZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-4-26(19-21-11-7-5-8-12-21)15-9-6-10-16-27-24-14-13-22(20(2)3)17-23(24)18-25(27)28/h5,7-8,11-14,17,20H,4,6,9-10,15-16,18-19H2,1-3H3.
What are the key properties of 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one?
1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one has a molecular weight of 378.56 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one is sourced from PubChem (CID 67758834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).