9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid

C22H35F3N4O4 — CID 118742189

IUPAC9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CCC2(CN(C(=O)N(C)C)CC23CCN(CC2CC2)CC3)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C20H34N4O2.C2HF3O2/c1-4-23-12-9-20(17(23)25)15-24(18(26)21(2)3)14-19(20)7-10-22(11-8-19)13-16-5-6-16;3-2(4,5)1(6)7/h16H,4-15H2,1-3H3;(H,6,7)
InChIKeyBPCJBQAFGIKLBY-UHFFFAOYSA-N
MW476.54 g/mol
LogP2.35
Rot. Bonds3

About 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid

9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742189) has the molecular formula C22H35F3N4O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742189
Molecular FormulaC22H35F3N4O4
Molecular Weight476.54 g/mol
Exact Mass476.26
IUPAC Name9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CCC2(CN(C(=O)N(C)C)CC23CCN(CC2CC2)CC3)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C20H34N4O2.C2HF3O2/c1-4-23-12-9-20(17(23)25)15-24(18(26)21(2)3)14-19(20)7-10-22(11-8-19)13-16-5-6-16;3-2(4,5)1(6)7/h16H,4-15H2,1-3H3;(H,6,7)
InChIKeyBPCJBQAFGIKLBY-UHFFFAOYSA-N
XLogP2.35
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid (CID 118742189) is 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid is CCN1CCC2(CN(C(=O)N(C)C)CC23CCN(CC2CC2)CC3)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BPCJBQAFGIKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2.C2HF3O2/c1-4-23-12-9-20(17(23)25)15-24(18(26)21(2)3)14-19(20)7-10-22(11-8-19)13-16-5-6-16;3-2(4,5)1(6)7/h16H,4-15H2,1-3H3;(H,6,7).
What are the key properties of 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid?
9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 476.54 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).