2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide

C13H25N3O2 — CID 55117202

IUPAC2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)CC1CCCCC1N
InChIInChI=1S/C13H25N3O2/c1-3-15-13(18)9(2)16-12(17)8-10-6-4-5-7-11(10)14/h9-11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIWRLIGNKNRSGLA-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.53
Rot. Bonds5

About 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide

2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide (PubChem CID 55117202) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
PubChem CID55117202
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)CC1CCCCC1N
InChIInChI=1S/C13H25N3O2/c1-3-15-13(18)9(2)16-12(17)8-10-6-4-5-7-11(10)14/h9-11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIWRLIGNKNRSGLA-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
2-(2-aminocyclohexyl)-N-(4-methylpentan-2-yl)acetamide
CID 62781340
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethylpropanamide
CID 64616764
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpropanamide
CID 79607169
2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62782488
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
1-[(2-aminocyclohexyl)methyl]-3-ethylurea
CID 64927851
2-(2-aminocyclohexyl)-N-(2-methylbutan-2-yl)acetamide
CID 62775988
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide (CID 55117202) is 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)CC1CCCCC1N.
What is the InChIKey of 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is IWRLIGNKNRSGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-15-13(18)9(2)16-12(17)8-10-6-4-5-7-11(10)14/h9-11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 55117202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).