2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide

C14H26N2O2 — CID 10422463

IUPAC2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)13(17)15-11-7-5-6-8-12(11)16-14(18)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1
InChIKeyNCXRPBORKBEHEC-VXGBXAGGSA-N
MW254.37 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide

2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide (PubChem CID 10422463) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
PubChem CID10422463
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)13(17)15-11-7-5-6-8-12(11)16-14(18)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1
InChIKeyNCXRPBORKBEHEC-VXGBXAGGSA-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-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
CID 106366671
2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
CID 95568853
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide
CID 130703856
2-methyl-N-(2-methylthiolan-3-yl)propanamide
CID 130647611
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
2,3-dimethyl-4-[(2-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 103496162
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 24704184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide?
The IUPAC name of 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide (CID 10422463) is 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide is CC(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide?
The InChIKey is NCXRPBORKBEHEC-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)13(17)15-11-7-5-6-8-12(11)16-14(18)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1.
What are the key properties of 2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide?
2-methyl-N-[(1R,2R)-2-(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-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide is sourced from PubChem (CID 10422463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).