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

C15H30N2O4 — CID 115585771

IUPACN,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
SMILESCCN(CC)C(=O)CCNCC(O)COCC1CCCO1
InChIInChI=1S/C15H30N2O4/c1-3-17(4-2)15(19)7-8-16-10-13(18)11-20-12-14-6-5-9-21-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyVZNNULSCXQAXAN-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.39
Rot. Bonds11

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

N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide (PubChem CID 115585771) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
PubChem CID115585771
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC NameN,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
SMILESCCN(CC)C(=O)CCNCC(O)COCC1CCCO1
InChIInChI=1S/C15H30N2O4/c1-3-17(4-2)15(19)7-8-16-10-13(18)11-20-12-14-6-5-9-21-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyVZNNULSCXQAXAN-UHFFFAOYSA-N
XLogP0.39
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786
3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
CID 83121091
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
CID 113225012
1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325500
1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110877523
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
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
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 N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide (CID 115585771) is N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide is CCN(CC)C(=O)CCNCC(O)COCC1CCCO1.
What is the InChIKey of N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide?
The InChIKey is VZNNULSCXQAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-3-17(4-2)15(19)7-8-16-10-13(18)11-20-12-14-6-5-9-21-14/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide?
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide has a molecular weight of 302.42 g/mol, XLogP of 0.39, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide is sourced from PubChem (CID 115585771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).