3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide

C10H22N2O3 — CID 104580472

IUPAC3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
SMILESCCOCC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C10H22N2O3/c1-4-15-7-8(13)6-12-10(2,3)5-9(11)14/h8,12-13H,4-7H2,1-3H3,(H2,11,14)
InChIKeyKCGXBTUCSOEMRO-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.37
Rot. Bonds8

About 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide

3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide (PubChem CID 104580472) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
PubChem CID104580472
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
SMILESCCOCC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C10H22N2O3/c1-4-15-7-8(13)6-12-10(2,3)5-9(11)14/h8,12-13H,4-7H2,1-3H3,(H2,11,14)
InChIKeyKCGXBTUCSOEMRO-UHFFFAOYSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63934217
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
CID 104580081
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 106096310
2-[(3-ethoxy-2-hydroxypropyl)amino]oxyacetamide
CID 112674030
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
CID 104580076
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 54940811
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide (CID 104580472) is 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide is CCOCC(O)CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide?
The InChIKey is KCGXBTUCSOEMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-4-15-7-8(13)6-12-10(2,3)5-9(11)14/h8,12-13H,4-7H2,1-3H3,(H2,11,14).
What are the key properties of 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide?
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide is sourced from PubChem (CID 104580472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).