2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide

C12H27N3O2 — CID 54950828

IUPAC2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
SMILESCCN(CC)CC(O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C12H27N3O2/c1-6-15(7-2)9-11(16)8-13-10(3)12(17)14(4)5/h10-11,13,16H,6-9H2,1-5H3
InChIKeyJZVCREYQHQGNGY-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.24
Rot. Bonds8

About 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide

2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide (PubChem CID 54950828) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
PubChem CID54950828
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
SMILESCCN(CC)CC(O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C12H27N3O2/c1-6-15(7-2)9-11(16)8-13-10(3)12(17)14(4)5/h10-11,13,16H,6-9H2,1-5H3
InChIKeyJZVCREYQHQGNGY-UHFFFAOYSA-N
XLogP-0.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide 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

2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
CID 60710637
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-hydroxypropanamide
CID 106174475
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
CID 54950826
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
CID 61477002
(2S)-2-(2-hydroxyethylamino)-N,N-dimethylpropanamide
CID 86625703
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 61464733
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
CID 54958866
2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 107263156
N-ethyl-2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-N-methylpropanamide
CID 106990635

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide (CID 54950828) is 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide is CCN(CC)CC(O)CNC(C)C(=O)N(C)C.
What is the InChIKey of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
The InChIKey is JZVCREYQHQGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-6-15(7-2)9-11(16)8-13-10(3)12(17)14(4)5/h10-11,13,16H,6-9H2,1-5H3.
What are the key properties of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide has a molecular weight of 245.37 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54950828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).