N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide

C17H32N2O2 — CID 139040303

IUPACN-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCCN(CC)C(=O)[C@H](CC(C)C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-5-19(6-2)17(21)15(12-13(3)4)18-16(20)14-10-8-7-9-11-14/h13-15H,5-12H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyGCZTYWZAMPMFGU-HNNXBMFYSA-N
MW296.46 g/mol
LogP2.97
Rot. Bonds7

About N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide (PubChem CID 139040303) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
PubChem CID139040303
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCCN(CC)C(=O)[C@H](CC(C)C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-5-19(6-2)17(21)15(12-13(3)4)18-16(20)14-10-8-7-9-11-14/h13-15H,5-12H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyGCZTYWZAMPMFGU-HNNXBMFYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide (CID 139040303) is N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide is CCN(CC)C(=O)[C@H](CC(C)C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
The InChIKey is GCZTYWZAMPMFGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-19(6-2)17(21)15(12-13(3)4)18-16(20)14-10-8-7-9-11-14/h13-15H,5-12H2,1-4H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide has a molecular weight of 296.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 139040303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).