N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide

C17H25NO3 — CID 111477088

IUPACN-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide
SMILESCC1CCC(CCC(=O)N(CCO)Cc2ccccc2)O1
InChIInChI=1S/C17H25NO3/c1-14-7-8-16(21-14)9-10-17(20)18(11-12-19)13-15-5-3-2-4-6-15/h2-6,14,16,19H,7-13H2,1H3
InChIKeyBEDXYZIRXQJPAE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.36
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide

N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide (PubChem CID 111477088) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide
PubChem CID111477088
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide
SMILESCC1CCC(CCC(=O)N(CCO)Cc2ccccc2)O1
InChIInChI=1S/C17H25NO3/c1-14-7-8-16(21-14)9-10-17(20)18(11-12-19)13-15-5-3-2-4-6-15/h2-6,14,16,19H,7-13H2,1H3
InChIKeyBEDXYZIRXQJPAE-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide
CID 109468260
N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885197
3-[(2,3-difluorophenyl)methyl-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]amino]propanoic acid
CID 124689274
N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
CID 111696306
N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 84585108
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112729241
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[(4-nitrophenyl)methyl]propanamide
CID 97218663
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
3-[N-[(5-methyloxolan-2-yl)methyl]anilino]propanoic acid
CID 82839849
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide (CID 111477088) is N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide is CC1CCC(CCC(=O)N(CCO)Cc2ccccc2)O1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide?
The InChIKey is BEDXYZIRXQJPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14-7-8-16(21-14)9-10-17(20)18(11-12-19)13-15-5-3-2-4-6-15/h2-6,14,16,19H,7-13H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide?
N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.36, 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-(5-methyloxolan-2-yl)propanamide is sourced from PubChem (CID 111477088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).