N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide

C14H24N2O — CID 58691709

IUPACN-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide
SMILESCCNC(=O)N1CCC2C(C(C)C)=CCCC21
InChIInChI=1S/C14H24N2O/c1-4-15-14(17)16-9-8-12-11(10(2)3)6-5-7-13(12)16/h6,10,12-13H,4-5,7-9H2,1-3H3,(H,15,17)
InChIKeyRNIAEPCSKXDWBT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.78
Rot. Bonds2

About N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide

N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide (PubChem CID 58691709) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide
PubChem CID58691709
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide
SMILESCCNC(=O)N1CCC2C(C(C)C)=CCCC21
InChIInChI=1S/C14H24N2O/c1-4-15-14(17)16-9-8-12-11(10(2)3)6-5-7-13(12)16/h6,10,12-13H,4-5,7-9H2,1-3H3,(H,15,17)
InChIKeyRNIAEPCSKXDWBT-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
The IUPAC name of N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide (CID 58691709) is N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide.
What is the SMILES notation for N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
The canonical SMILES for N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide is CCNC(=O)N1CCC2C(C(C)C)=CCCC21.
What is the InChIKey of N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
The InChIKey is RNIAEPCSKXDWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-15-14(17)16-9-8-12-11(10(2)3)6-5-7-13(12)16/h6,10,12-13H,4-5,7-9H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide?
N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxamide is sourced from PubChem (CID 58691709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).