cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide

C15H28N2O2 — CID 138527082

IUPACcis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCNC(=O)[C@H]1CCCC[C@H]1C(C)=O
InChIInChI=1S/C15H28N2O2/c1-4-17(5-2)11-10-16-15(19)14-9-7-6-8-13(14)12(3)18/h13-14H,4-11H2,1-3H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyUTAAKFWJZSCDHJ-KBPBESRZSA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds7

About cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide

cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 138527082) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID138527082
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namecis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCNC(=O)[C@H]1CCCC[C@H]1C(C)=O
InChIInChI=1S/C15H28N2O2/c1-4-17(5-2)11-10-16-15(19)14-9-7-6-8-13(14)12(3)18/h13-14H,4-11H2,1-3H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyUTAAKFWJZSCDHJ-KBPBESRZSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 62777345
cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 144603348
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
(1S,6R)-6-[2-(diethylamino)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 39202618
(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119896206
(2R)-N-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 103814939
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]cyclohexane-1-carboxamide
CID 103814332
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 110991153
2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20761270

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide (CID 138527082) is cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide is CCN(CC)CCNC(=O)[C@H]1CCCC[C@H]1C(C)=O.
What is the InChIKey of cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is UTAAKFWJZSCDHJ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-17(5-2)11-10-16-15(19)14-9-7-6-8-13(14)12(3)18/h13-14H,4-11H2,1-3H3,(H,16,19)/t13-,14-/m0/s1.
What are the key properties of cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide?
cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138527082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).