2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide

C13H25N3O2 — CID 64921599

IUPAC2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCCC1CCC(NC(C)C(=O)NC(=O)NC)C1C
InChIInChI=1S/C13H25N3O2/c1-5-10-6-7-11(8(10)2)15-9(3)12(17)16-13(18)14-4/h8-11,15H,5-7H2,1-4H3,(H2,14,16,17,18)
InChIKeyUPHXWUPAQTXLPM-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.24
Rot. Bonds4

About 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide

2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 64921599) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID64921599
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCCC1CCC(NC(C)C(=O)NC(=O)NC)C1C
InChIInChI=1S/C13H25N3O2/c1-5-10-6-7-11(8(10)2)15-9(3)12(17)16-13(18)14-4/h8-11,15H,5-7H2,1-4H3,(H2,14,16,17,18)
InChIKeyUPHXWUPAQTXLPM-UHFFFAOYSA-N
XLogP1.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide (CID 64921599) is 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide is CCC1CCC(NC(C)C(=O)NC(=O)NC)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is UPHXWUPAQTXLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-10-6-7-11(8(10)2)15-9(3)12(17)16-13(18)14-4/h8-11,15H,5-7H2,1-4H3,(H2,14,16,17,18).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide?
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 64921599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).