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

C12H26N2O2 — CID 43591061

IUPAC2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
SMILESCCOCCNC(C)C(=O)NC(CC)CC
InChIInChI=1S/C12H26N2O2/c1-5-11(6-2)14-12(15)10(4)13-8-9-16-7-3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyPEWKQFZIDTXHNH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds9

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

2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide (PubChem CID 43591061) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
PubChem CID43591061
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
SMILESCCOCCNC(C)C(=O)NC(CC)CC
InChIInChI=1S/C12H26N2O2/c1-5-11(6-2)14-12(15)10(4)13-8-9-16-7-3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyPEWKQFZIDTXHNH-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
2-(ethoxyamino)-N-pentan-3-ylpropanamide
CID 60721530
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide (CID 43591061) is 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide is CCOCCNC(C)C(=O)NC(CC)CC.
What is the InChIKey of 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide?
The InChIKey is PEWKQFZIDTXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-11(6-2)14-12(15)10(4)13-8-9-16-7-3/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide?
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43591061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).