N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide

C12H26N2O2 — CID 71936811

IUPACN-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide
SMILESCCCN(CCN(C)C)C(=O)CCCOC
InChIInChI=1S/C12H26N2O2/c1-5-8-14(10-9-13(2)3)12(15)7-6-11-16-4/h5-11H2,1-4H3
InChIKeyXTTVUOMBYMHPPR-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.21
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide

N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide (PubChem CID 71936811) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide
PubChem CID71936811
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide
SMILESCCCN(CCN(C)C)C(=O)CCCOC
InChIInChI=1S/C12H26N2O2/c1-5-8-14(10-9-13(2)3)12(15)7-6-11-16-4/h5-11H2,1-4H3
InChIKeyXTTVUOMBYMHPPR-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide (CID 71936811) is N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide is CCCN(CCN(C)C)C(=O)CCCOC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide?
The InChIKey is XTTVUOMBYMHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-8-14(10-9-13(2)3)12(15)7-6-11-16-4/h5-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide?
N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methoxy-N-propylbutanamide is sourced from PubChem (CID 71936811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).