N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide

C15H28N2O — CID 44889625

IUPACN-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide
SMILESCCCCNC(=O)CC1NC2CCCCC2C1C
InChIInChI=1S/C15H28N2O/c1-3-4-9-16-15(18)10-14-11(2)12-7-5-6-8-13(12)17-14/h11-14,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyMAEVZYXLQSHWOJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds5

About N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide

N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide (PubChem CID 44889625) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide
PubChem CID44889625
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide
SMILESCCCCNC(=O)CC1NC2CCCCC2C1C
InChIInChI=1S/C15H28N2O/c1-3-4-9-16-15(18)10-14-11(2)12-7-5-6-8-13(12)17-14/h11-14,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyMAEVZYXLQSHWOJ-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 3547359
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CID 66755217
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259352
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
N-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
CID 91507842
N-(5-methylhexyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147985
N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide
CID 86810383

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide?
The IUPAC name of N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide (CID 44889625) is N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide is CCCCNC(=O)CC1NC2CCCCC2C1C.
What is the InChIKey of N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide?
The InChIKey is MAEVZYXLQSHWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-4-9-16-15(18)10-14-11(2)12-7-5-6-8-13(12)17-14/h11-14,17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide?
N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)acetamide is sourced from PubChem (CID 44889625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).