ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide

C20H40N2O4 — CID 168915500

IUPACethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide
SMILESCC1CCCCC1.CCC(=O)NC(C(=O)NCC(C)=O)C(C)C.CCO
InChIInChI=1S/C11H20N2O3.C7H14.C2H6O/c1-5-9(15)13-10(7(2)3)11(16)12-6-8(4)14;1-7-5-3-2-4-6-7;1-2-3/h7,10H,5-6H2,1-4H3,(H,12,16)(H,13,15);7H,2-6H2,1H3;3H,2H2,1H3
InChIKeyIENGKTUVYPEOLZ-UHFFFAOYSA-N
MW372.55 g/mol
LogP2.83
Rot. Bonds6

About ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide

ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide (PubChem CID 168915500) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide.

Molecular Properties

Compound Nameethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide
PubChem CID168915500
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Nameethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide
SMILESCC1CCCCC1.CCC(=O)NC(C(=O)NCC(C)=O)C(C)C.CCO
InChIInChI=1S/C11H20N2O3.C7H14.C2H6O/c1-5-9(15)13-10(7(2)3)11(16)12-6-8(4)14;1-7-5-3-2-4-6-7;1-2-3/h7,10H,5-6H2,1-4H3,(H,12,16)(H,13,15);7H,2-6H2,1H3;3H,2H2,1H3
InChIKeyIENGKTUVYPEOLZ-UHFFFAOYSA-N
XLogP2.83
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 170598325
CID 170598325
N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide
CID 171520136
ethane;(4-methylcyclohexyl)methanamine;3-methyl-2-(methylamino)-N-(2-oxopropyl)butanamide
CID 144997499
ethane;methylcyclohexane;2-methylpentan-3-one
CID 177135941
N-(2-oxopropyl)propanamide
CID 23550155
2-(ethylamino)-3-methyl-N-(2-oxobutyl)butanamide
CID 155432667
(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 119369009
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 4191585
[3-[[(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-(cyclohexylmethyl)-dihydroxyphosphanium
CID 91068519
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459

Frequently Asked Questions

What is the IUPAC name of ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide?
The IUPAC name of ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide (CID 168915500) is ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide.
What is the SMILES notation for ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide?
The canonical SMILES for ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide is CC1CCCCC1.CCC(=O)NC(C(=O)NCC(C)=O)C(C)C.CCO.
What is the InChIKey of ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide?
The InChIKey is IENGKTUVYPEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.C7H14.C2H6O/c1-5-9(15)13-10(7(2)3)11(16)12-6-8(4)14;1-7-5-3-2-4-6-7;1-2-3/h7,10H,5-6H2,1-4H3,(H,12,16)(H,13,15);7H,2-6H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide?
ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide has a molecular weight of 372.55 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methylcyclohexane;3-methyl-N-(2-oxopropyl)-2-(propanoylamino)butanamide is sourced from PubChem (CID 168915500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).