N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide

C12H23N3O2 — CID 55117197

IUPACN-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
SMILESCC(=O)NCCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C12H23N3O2/c1-9(16)14-6-7-15-12(17)8-10-2-4-11(13)5-3-10/h10-11H,2-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyVOQZGNLAACUGQY-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.15
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide

N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide (PubChem CID 55117197) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
PubChem CID55117197
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
SMILESCC(=O)NCCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C12H23N3O2/c1-9(16)14-6-7-15-12(17)8-10-2-4-11(13)5-3-10/h10-11H,2-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyVOQZGNLAACUGQY-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate
CID 83215436
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
2-(4-aminocyclohexyl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 55260453
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
2-(4-aminocyclohexyl)-N-(2,3-dimethylbutyl)acetamide
CID 64583220
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
CID 114162833
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
2-cyclopropyl-N-pentylacetamide
CID 66755217

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide (CID 55117197) is N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide is CC(=O)NCCNC(=O)CC1CCC(N)CC1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide?
The InChIKey is VOQZGNLAACUGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(16)14-6-7-15-12(17)8-10-2-4-11(13)5-3-10/h10-11H,2-8,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide?
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide is sourced from PubChem (CID 55117197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).