2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide

C12H23N3O3 — CID 114162833

IUPAC2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
SMILESNC(=O)COCCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C12H23N3O3/c13-10-3-1-9(2-4-10)7-12(17)15-5-6-18-8-11(14)16/h9-10H,1-8,13H2,(H2,14,16)(H,15,17)
InChIKeyTZXOTFRLHVEEHY-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.49
Rot. Bonds7

About 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide

2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide (PubChem CID 114162833) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
PubChem CID114162833
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
SMILESNC(=O)COCCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C12H23N3O3/c13-10-3-1-9(2-4-10)7-12(17)15-5-6-18-8-11(14)16/h9-10H,1-8,13H2,(H2,14,16)(H,15,17)
InChIKeyTZXOTFRLHVEEHY-UHFFFAOYSA-N
XLogP-0.49
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate
CID 83215436
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
CID 79457520
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)acetamide
CID 106236362
2-[4-(aminomethyl)cyclohexyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63834528
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide (CID 114162833) is 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide is NC(=O)COCCNC(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide?
The InChIKey is TZXOTFRLHVEEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c13-10-3-1-9(2-4-10)7-12(17)15-5-6-18-8-11(14)16/h9-10H,1-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide?
2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide has a molecular weight of 257.33 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide is sourced from PubChem (CID 114162833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).