2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide

C14H30N2O3 — CID 54938909

IUPAC2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
SMILESCCCCC(CC)COCC(O)CNC(C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-4-6-7-12(5-2)9-19-10-13(17)8-16-11(3)14(15)18/h11-13,16-17H,4-10H2,1-3H3,(H2,15,18)
InChIKeyHKGVUTXOSQVUPT-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.04
Rot. Bonds12

About 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide

2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide (PubChem CID 54938909) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound Name2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
PubChem CID54938909
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
SMILESCCCCC(CC)COCC(O)CNC(C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-4-6-7-12(5-2)9-19-10-13(17)8-16-11(3)14(15)18/h11-13,16-17H,4-10H2,1-3H3,(H2,15,18)
InChIKeyHKGVUTXOSQVUPT-UHFFFAOYSA-N
XLogP1.04
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide 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-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464333
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
1-(but-3-yn-2-ylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 114416911
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
CID 88753128
CID 88753128
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide (CID 54938909) is 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide is CCCCC(CC)COCC(O)CNC(C)C(N)=O.
What is the InChIKey of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide?
The InChIKey is HKGVUTXOSQVUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-4-6-7-12(5-2)9-19-10-13(17)8-16-11(3)14(15)18/h11-13,16-17H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide?
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide has a molecular weight of 274.40 g/mol, XLogP of 1.04, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 54938909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).