2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide

C13H25N3O2 — CID 62782083

IUPAC2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
SMILESCC(C)(NC(=O)CCC1CCC(N)CC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,12(15)18)16-11(17)8-5-9-3-6-10(14)7-4-9/h9-10H,3-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyLWJMCFWTFRRHIE-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.66
Rot. Bonds5

About 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide

2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide (PubChem CID 62782083) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
PubChem CID62782083
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
SMILESCC(C)(NC(=O)CCC1CCC(N)CC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,12(15)18)16-11(17)8-5-9-3-6-10(14)7-4-9/h9-10H,3-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyLWJMCFWTFRRHIE-UHFFFAOYSA-N
XLogP0.66
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methylpentanamide
CID 130214691
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
CID 110837588
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
CID 55117162
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
3-(4-aminocyclohexyl)-N-(4-hydroxycyclohexyl)propanamide
CID 62776158
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
CID 55116663
3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
CID 62777706
3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide
CID 82949436
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224
3-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 115730882

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide?
The IUPAC name of 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide (CID 62782083) is 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide?
The canonical SMILES for 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide is CC(C)(NC(=O)CCC1CCC(N)CC1)C(N)=O.
What is the InChIKey of 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide?
The InChIKey is LWJMCFWTFRRHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,12(15)18)16-11(17)8-5-9-3-6-10(14)7-4-9/h9-10H,3-8,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide?
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide is sourced from PubChem (CID 62782083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).