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

C12H24N2O4 — CID 60901786

IUPAC2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC(O)COCC1CCCO1
InChIInChI=1S/C12H24N2O4/c1-14(2)12(16)7-13-6-10(15)8-17-9-11-4-3-5-18-11/h10-11,13,15H,3-9H2,1-2H3
InChIKeyFPQVFAPIBDYFCI-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.78
Rot. Bonds8

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

2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide (PubChem CID 60901786) 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
PubChem CID60901786
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC(O)COCC1CCCO1
InChIInChI=1S/C12H24N2O4/c1-14(2)12(16)7-13-6-10(15)8-17-9-11-4-3-5-18-11/h10-11,13,15H,3-9H2,1-2H3
InChIKeyFPQVFAPIBDYFCI-UHFFFAOYSA-N
XLogP-0.78
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
CID 83121091
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63897813
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106372856

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide (CID 60901786) is 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNCC(O)COCC1CCCO1.
What is the InChIKey of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide?
The InChIKey is FPQVFAPIBDYFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-14(2)12(16)7-13-6-10(15)8-17-9-11-4-3-5-18-11/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide?
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide has a molecular weight of 260.33 g/mol, XLogP of -0.78, 8 rotatable bonds, 2 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,N-dimethylacetamide is sourced from PubChem (CID 60901786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).