2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide

C12H25N3O2 — CID 43420238

IUPAC2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCNC(C)=O
InChIInChI=1S/C12H25N3O2/c1-5-11(6-2)15-12(17)9(3)13-7-8-14-10(4)16/h9,11,13H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyRMMSDOCOBHWOBJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds8

About 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide

2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide (PubChem CID 43420238) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
PubChem CID43420238
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCNC(C)=O
InChIInChI=1S/C12H25N3O2/c1-5-11(6-2)15-12(17)9(3)13-7-8-14-10(4)16/h9,11,13H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyRMMSDOCOBHWOBJ-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide (CID 43420238) is 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCCNC(C)=O.
What is the InChIKey of 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide?
The InChIKey is RMMSDOCOBHWOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-11(6-2)15-12(17)9(3)13-7-8-14-10(4)16/h9,11,13H,5-8H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide?
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43420238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).