2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide

C12H24N2O4 — CID 54950771

IUPAC2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)COCC1CCCO1
InChIInChI=1S/C12H24N2O4/c1-9(12(16)13-2)14-6-10(15)7-17-8-11-4-3-5-18-11/h9-11,14-15H,3-8H2,1-2H3,(H,13,16)
InChIKeyUNCNUDCRONKVSL-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.73
Rot. Bonds8

About 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide

2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide (PubChem CID 54950771) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
PubChem CID54950771
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)COCC1CCCO1
InChIInChI=1S/C12H24N2O4/c1-9(12(16)13-2)14-6-10(15)7-17-8-11-4-3-5-18-11/h9-11,14-15H,3-8H2,1-2H3,(H,13,16)
InChIKeyUNCNUDCRONKVSL-UHFFFAOYSA-N
XLogP-0.73
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160886
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
N-methyl-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 61038745
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81355892
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide (CID 54950771) is 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide is CNC(=O)C(C)NCC(O)COCC1CCCO1.
What is the InChIKey of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide?
The InChIKey is UNCNUDCRONKVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(12(16)13-2)14-6-10(15)7-17-8-11-4-3-5-18-11/h9-11,14-15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide?
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide has a molecular weight of 260.33 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide is sourced from PubChem (CID 54950771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).