2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide

C14H26N2O2 — CID 5083762

IUPAC2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
SMILESCC(C)C(=O)NC1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-9(2)13(17)15-11-5-7-12(8-6-11)16-14(18)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyHOFSLEMKHWMASP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide

2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide (PubChem CID 5083762) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
PubChem CID5083762
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
SMILESCC(C)C(=O)NC1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-9(2)13(17)15-11-5-7-12(8-6-11)16-14(18)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyHOFSLEMKHWMASP-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromocyclohexyl)-2-methylpropanamide
CID 114309031
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
CID 159536541
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide (CID 5083762) is 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide is CC(C)C(=O)NC1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide?
The InChIKey is HOFSLEMKHWMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)13(17)15-11-5-7-12(8-6-11)16-14(18)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide?
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide is sourced from PubChem (CID 5083762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).