2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide

C13H26N2O2 — CID 103852838

IUPAC2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
SMILESC=CCCOCCNC(C)C(=O)N(CC)CC
InChIInChI=1S/C13H26N2O2/c1-5-8-10-17-11-9-14-12(4)13(16)15(6-2)7-3/h5,12,14H,1,6-11H2,2-4H3
InChIKeyMAGQRVSOCNSAND-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.43
Rot. Bonds10

About 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide

2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide (PubChem CID 103852838) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
PubChem CID103852838
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
SMILESC=CCCOCCNC(C)C(=O)N(CC)CC
InChIInChI=1S/C13H26N2O2/c1-5-8-10-17-11-9-14-12(4)13(16)15(6-2)7-3/h5,12,14H,1,6-11H2,2-4H3
InChIKeyMAGQRVSOCNSAND-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
3-(2-but-3-enoxyethylamino)butan-2-ol
CID 106401424
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
N,N-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473350
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide?
The IUPAC name of 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide (CID 103852838) is 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide is C=CCCOCCNC(C)C(=O)N(CC)CC.
What is the InChIKey of 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide?
The InChIKey is MAGQRVSOCNSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-8-10-17-11-9-14-12(4)13(16)15(6-2)7-3/h5,12,14H,1,6-11H2,2-4H3.
What are the key properties of 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide?
2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 103852838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).