3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide

C12H24N4O2 — CID 83118112

IUPAC3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
SMILESNC(=O)NCCNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C12H24N4O2/c13-10-3-1-2-9(8-10)4-5-11(17)15-6-7-16-12(14)18/h9-10H,1-8,13H2,(H,15,17)(H3,14,16,18)
InChIKeyXWUYTUZOJCGVHG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.07
Rot. Bonds6

About 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide

3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide (PubChem CID 83118112) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
PubChem CID83118112
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
SMILESNC(=O)NCCNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C12H24N4O2/c13-10-3-1-2-9(8-10)4-5-11(17)15-6-7-16-12(14)18/h9-10H,1-8,13H2,(H,15,17)(H3,14,16,18)
InChIKeyXWUYTUZOJCGVHG-UHFFFAOYSA-N
XLogP0.07
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 80693936
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 80700385
3-(3-aminocyclohexyl)-N-piperidin-1-ylpropanamide
CID 83024895
3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 80700809
3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 114551074
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide (CID 83118112) is 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide is NC(=O)NCCNC(=O)CCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide?
The InChIKey is XWUYTUZOJCGVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-10-3-1-2-9(8-10)4-5-11(17)15-6-7-16-12(14)18/h9-10H,1-8,13H2,(H,15,17)(H3,14,16,18).
What are the key properties of 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide?
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide has a molecular weight of 256.35 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide is sourced from PubChem (CID 83118112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).