N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide

C14H28N2O — CID 43180085

IUPACN-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCCC(C)NC(=O)CNC1CCCC(C)C1C
InChIInChI=1S/C14H28N2O/c1-5-11(3)16-14(17)9-15-13-8-6-7-10(2)12(13)4/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyKGDLCHYTFSEIPD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.32
Rot. Bonds5

About N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide

N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide (PubChem CID 43180085) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
PubChem CID43180085
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCCC(C)NC(=O)CNC1CCCC(C)C1C
InChIInChI=1S/C14H28N2O/c1-5-11(3)16-14(17)9-15-13-8-6-7-10(2)12(13)4/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyKGDLCHYTFSEIPD-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[(2-methoxycyclopentyl)amino]acetamide
CID 62087337
2-[(2,3-dimethylcyclopentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 64909596
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
CID 11939615
2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647542
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 43309660
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-pentan-2-ylacetamide
CID 106360724
N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471067

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide (CID 43180085) is N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide is CCC(C)NC(=O)CNC1CCCC(C)C1C.
What is the InChIKey of N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The InChIKey is KGDLCHYTFSEIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-11(3)16-14(17)9-15-13-8-6-7-10(2)12(13)4/h10-13,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide has a molecular weight of 240.39 g/mol, XLogP of 2.32, 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-[(2,3-dimethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 43180085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).