3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide

C13H25N3O2 — CID 113411080

IUPAC3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C13H25N3O2/c1-2-15-12(17)7-8-16-13(18)9-10-3-5-11(14)6-4-10/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyJIVPXJKXYGAYBF-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds6

About 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide

3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide (PubChem CID 113411080) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
PubChem CID113411080
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C13H25N3O2/c1-2-15-12(17)7-8-16-13(18)9-10-3-5-11(14)6-4-10/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyJIVPXJKXYGAYBF-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 106133439
2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate
CID 83215436
2-cyclopropyl-N-pentylacetamide
CID 66755217
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
2-(4-aminocyclohexyl)-N-(2,3-dimethylbutyl)acetamide
CID 64583220

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide (CID 113411080) is 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)CCNC(=O)CC1CCC(N)CC1.
What is the InChIKey of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is JIVPXJKXYGAYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-15-12(17)7-8-16-13(18)9-10-3-5-11(14)6-4-10/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide?
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 113411080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).