(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

C15H28N2O2 — CID 95305147

IUPAC(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)C[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-4-17(11-14(18)16-3)15(19)10-12(2)13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyFQMZQOGCDDHIDW-GFCCVEGCSA-N
MW268.40 g/mol
LogP2.19
Rot. Bonds6

About (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 95305147) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID95305147
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)C[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-4-17(11-14(18)16-3)15(19)10-12(2)13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyFQMZQOGCDDHIDW-GFCCVEGCSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 62837362
2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62782198
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119682089
N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319
3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 113496977
3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119503732
3-cyclohexylbutanoate
CID 3992120
methyl (2S)-2-cyclohexyl-4-(methylamino)-4-oxobutanoate
CID 58938762
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 95305147) is (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is CCN(CC(=O)NC)C(=O)C[C@@H](C)C1CCCCC1.
What is the InChIKey of (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is FQMZQOGCDDHIDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-17(11-14(18)16-3)15(19)10-12(2)13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 268.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 95305147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).