3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide

C15H28N2O2 — CID 113115917

IUPAC3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)CC(C)C
InChIInChI=1S/C15H28N2O2/c1-12(2)11-17(13(3)18)10-9-15(19)16-14-7-5-4-6-8-14/h12,14H,4-11H2,1-3H3,(H,16,19)
InChIKeyKLFBSBFTWMCBIX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds6

About 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide

3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide (PubChem CID 113115917) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide
PubChem CID113115917
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)CC(C)C
InChIInChI=1S/C15H28N2O2/c1-12(2)11-17(13(3)18)10-9-15(19)16-14-7-5-4-6-8-14/h12,14H,4-11H2,1-3H3,(H,16,19)
InChIKeyKLFBSBFTWMCBIX-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butyl)amino]-N-cyclopentylpropanamide
CID 113115718
3-[acetyl(cyclopentyl)amino]-N-cyclopentylpropanamide
CID 113116313
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide
CID 113166451
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide (CID 113115917) is 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide is CC(=O)N(CCC(=O)NC1CCCCC1)CC(C)C.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide?
The InChIKey is KLFBSBFTWMCBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)11-17(13(3)18)10-9-15(19)16-14-7-5-4-6-8-14/h12,14H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide?
3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 113115917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).