N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide

C17H25NO3 — CID 48846486

IUPACN-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)OCC1CCCO1
InChIInChI=1S/C17H25NO3/c1-3-18(12-15-8-5-4-6-9-15)17(19)14(2)21-13-16-10-7-11-20-16/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3
InChIKeyOOLZXFFQMIOWNA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds7

About N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide

N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 48846486) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID48846486
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)OCC1CCCO1
InChIInChI=1S/C17H25NO3/c1-3-18(12-15-8-5-4-6-9-15)17(19)14(2)21-13-16-10-7-11-20-16/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3
InChIKeyOOLZXFFQMIOWNA-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48849991
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94821314
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide
CID 95164985
N-methyl-2-(oxolan-2-ylmethoxy)-N-(3-phenoxypropyl)propanamide
CID 48856030
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide
CID 136558524
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide (CID 48846486) is N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide is CCN(Cc1ccccc1)C(=O)C(C)OCC1CCCO1.
What is the InChIKey of N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is OOLZXFFQMIOWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-18(12-15-8-5-4-6-9-15)17(19)14(2)21-13-16-10-7-11-20-16/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide?
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 48846486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).