N-[4-(diethylamino)butyl]-2-hydroxypropanamide

C11H24N2O2 — CID 3030791

IUPACN-[4-(diethylamino)butyl]-2-hydroxypropanamide
SMILESCCN(CC)CCCCNC(=O)C(C)O
InChIInChI=1S/C11H24N2O2/c1-4-13(5-2)9-7-6-8-12-11(15)10(3)14/h10,14H,4-9H2,1-3H3,(H,12,15)
InChIKeyBIKVWZVPCGZHKV-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.61
Rot. Bonds8

About N-[4-(diethylamino)butyl]-2-hydroxypropanamide

N-[4-(diethylamino)butyl]-2-hydroxypropanamide (PubChem CID 3030791) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-2-hydroxypropanamide
PubChem CID3030791
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-[4-(diethylamino)butyl]-2-hydroxypropanamide
SMILESCCN(CC)CCCCNC(=O)C(C)O
InChIInChI=1S/C11H24N2O2/c1-4-13(5-2)9-7-6-8-12-11(15)10(3)14/h10,14H,4-9H2,1-3H3,(H,12,15)
InChIKeyBIKVWZVPCGZHKV-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-2-hydroxypropanamide?
The IUPAC name of N-[4-(diethylamino)butyl]-2-hydroxypropanamide (CID 3030791) is N-[4-(diethylamino)butyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-2-hydroxypropanamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-2-hydroxypropanamide is CCN(CC)CCCCNC(=O)C(C)O.
What is the InChIKey of N-[4-(diethylamino)butyl]-2-hydroxypropanamide?
The InChIKey is BIKVWZVPCGZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-13(5-2)9-7-6-8-12-11(15)10(3)14/h10,14H,4-9H2,1-3H3,(H,12,15).
What are the key properties of N-[4-(diethylamino)butyl]-2-hydroxypropanamide?
N-[4-(diethylamino)butyl]-2-hydroxypropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-2-hydroxypropanamide is sourced from PubChem (CID 3030791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).