4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide

C15H26F2N6O — CID 166364556

IUPAC4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide
SMILESCC(c1nnnn1C)N(C)CCN(C)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N6O/c1-11(13-18-19-20-23(13)4)21(2)9-10-22(3)14(24)12-5-7-15(16,17)8-6-12/h11-12H,5-10H2,1-4H3
InChIKeyTXKLVQQGBCHQOE-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.49
Rot. Bonds6

About 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide (PubChem CID 166364556) has the molecular formula C15H26F2N6O and a molecular weight of 344.41 g/mol. Its IUPAC name is 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide
PubChem CID166364556
Molecular FormulaC15H26F2N6O
Molecular Weight344.41 g/mol
Exact Mass344.21
IUPAC Name4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide
SMILESCC(c1nnnn1C)N(C)CCN(C)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N6O/c1-11(13-18-19-20-23(13)4)21(2)9-10-22(3)14(24)12-5-7-15(16,17)8-6-12/h11-12H,5-10H2,1-4H3
InChIKeyTXKLVQQGBCHQOE-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide (CID 166364556) is 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide is CC(c1nnnn1C)N(C)CCN(C)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide?
The InChIKey is TXKLVQQGBCHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N6O/c1-11(13-18-19-20-23(13)4)21(2)9-10-22(3)14(24)12-5-7-15(16,17)8-6-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166364556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).