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

1-Benzoyl-5-(octyloxy)pyrrolidin-2-one
CID 3077956
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960
1-Benzyl-5-(pentyloxy)pyrrolidin-2-one
CID 3077962
2-Pyrrolidinone, 5-(hexyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077963
2-Pyrrolidinone, 5-(heptyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077964
1-Benzyl-5-(octyloxy)pyrrolidin-2-one
CID 3077965
2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
CID 3077972
2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
CID 3077973
2-Pyrrolidinone, 5-(nonyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077975
1-Benzyl-5-(decyloxy)pyrrolidin-2-one
CID 3077976
N-benzyl-3-(oxolan-2-yl)butanamide
CID 2837669
(12R)-N-Benzyl-12-hydroxyoctadec-9-enamide
CID 49864757

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).