5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one

C18H26N2O — CID 80500002

IUPAC5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCCNC(c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCC1
InChIInChI=1S/C18H26N2O/c1-4-10-19-16(12-6-5-7-12)13-8-9-15-14(11-13)18(2,3)17(21)20-15/h8-9,11-12,16,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyASHBCNQAQBBJRB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds5

About 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one

5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 80500002) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID80500002
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCCNC(c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCC1
InChIInChI=1S/C18H26N2O/c1-4-10-19-16(12-6-5-7-12)13-8-9-15-14(11-13)18(2,3)17(21)20-15/h8-9,11-12,16,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyASHBCNQAQBBJRB-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500340
5-(1-bromo-2-cyclohexylethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500189
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one
CID 80500330
5-(1-bromo-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 83148974
2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid
CID 82489087
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105049438
5-(1-bromopentyl)-3,3-dimethyl-1H-indol-2-one
CID 80501207
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one (CID 80500002) is 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one is CCCNC(c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCC1.
What is the InChIKey of 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is ASHBCNQAQBBJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-10-19-16(12-6-5-7-12)13-8-9-15-14(11-13)18(2,3)17(21)20-15/h8-9,11-12,16,19H,4-7,10H2,1-3H3,(H,20,21).
What are the key properties of 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one?
5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 80500002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).