N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide

C17H25NO3 — CID 111696306

IUPACN-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
SMILESO=C(CCC1CCCOC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H25NO3/c19-11-10-18(13-15-5-2-1-3-6-15)17(20)9-8-16-7-4-12-21-14-16/h1-3,5-6,16,19H,4,7-14H2
InChIKeyPPMYTWBTCNKLTA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide

N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide (PubChem CID 111696306) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
PubChem CID111696306
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
SMILESO=C(CCC1CCCOC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H25NO3/c19-11-10-18(13-15-5-2-1-3-6-15)17(20)9-8-16-7-4-12-21-14-16/h1-3,5-6,16,19H,4,7-14H2
InChIKeyPPMYTWBTCNKLTA-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide
CID 111477088
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
CID 124755311
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112729241
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 57205354
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide (CID 111696306) is N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide is O=C(CCC1CCCOC1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide?
The InChIKey is PPMYTWBTCNKLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-11-10-18(13-15-5-2-1-3-6-15)17(20)9-8-16-7-4-12-21-14-16/h1-3,5-6,16,19H,4,7-14H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide?
N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide is sourced from PubChem (CID 111696306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).