N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide

C18H32F3N5O — CID 109376889

IUPACN-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C18H32F3N5O/c1-3-22-17(23-13-16(27)24-15-7-5-4-6-8-15)26-11-9-25(10-12-26)14(2)18(19,20)21/h14-15H,3-13H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyNFIQKDYUYXQGET-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.97
Rot. Bonds5

About N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide

N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide (PubChem CID 109376889) has the molecular formula C18H32F3N5O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
PubChem CID109376889
Molecular FormulaC18H32F3N5O
Molecular Weight391.48 g/mol
Exact Mass391.26
IUPAC NameN-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C18H32F3N5O/c1-3-22-17(23-13-16(27)24-15-7-5-4-6-8-15)26-11-9-25(10-12-26)14(2)18(19,20)21/h14-15H,3-13H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyNFIQKDYUYXQGET-UHFFFAOYSA-N
XLogP1.97
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide (CID 109376889) is N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
The InChIKey is NFIQKDYUYXQGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N5O/c1-3-22-17(23-13-16(27)24-15-7-5-4-6-8-15)26-11-9-25(10-12-26)14(2)18(19,20)21/h14-15H,3-13H2,1-2H3,(H,22,23)(H,24,27).
What are the key properties of N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide has a molecular weight of 391.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide is sourced from PubChem (CID 109376889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).