N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C16H25F3N2O — CID 119344581

IUPACN-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(C1CC2CCCCC2N1)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)7-8-21(10-11-5-6-11)15(22)14-9-12-3-1-2-4-13(12)20-14/h11-14,20H,1-10H2
InChIKeyFMLVQDWATXEQGE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.10
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119344581) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119344581
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC NameN-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(C1CC2CCCCC2N1)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)7-8-21(10-11-5-6-11)15(22)14-9-12-3-1-2-4-13(12)20-14/h11-14,20H,1-10H2
InChIKeyFMLVQDWATXEQGE-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262416
N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43125964
N-ethyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280649
N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63227285
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60980755
N-ethyl-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54949278
N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579594
2-[2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl(2-methoxyethyl)amino]acetic acid
CID 79270937
N-(2,2,2-trifluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290994
N-(2-amino-2-oxoethyl)-N-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60947996
2-cyclopropylethyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 106202553
N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119342203

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119344581) is N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(C1CC2CCCCC2N1)N(CCC(F)(F)F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is FMLVQDWATXEQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O/c17-16(18,19)7-8-21(10-11-5-6-11)15(22)14-9-12-3-1-2-4-13(12)20-14/h11-14,20H,1-10H2.
What are the key properties of N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119344581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).