N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide

C13H26N2O — CID 65240859

IUPACN-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCCC(C)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)15-12(16)10-13(14-3)8-6-5-7-9-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyOHLNRVRIOQBHDI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.21
Rot. Bonds5

About N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide

N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65240859) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65240859
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCCC(C)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)15-12(16)10-13(14-3)8-6-5-7-9-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyOHLNRVRIOQBHDI-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
CID 106230414
methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate
CID 65242652
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
CID 62522420
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242594
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284
2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide
CID 106025932
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
CID 65242049
N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 106286627
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
CID 65241939

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide (CID 65240859) is N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide is CCC(C)NC(=O)CC1(NC)CCCCC1.
What is the InChIKey of N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is OHLNRVRIOQBHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(2)15-12(16)10-13(14-3)8-6-5-7-9-13/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide?
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65240859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).