N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide

C15H23NO3 — CID 112729241

IUPACN-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
SMILESCCOCCCC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-19-12-6-9-15(18)16(10-11-17)13-14-7-4-3-5-8-14/h3-5,7-8,17H,2,6,9-13H2,1H3
InChIKeyDJGVDBHMIVLXFS-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.82
Rot. Bonds9

About N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide

N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide (PubChem CID 112729241) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
PubChem CID112729241
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
SMILESCCOCCCC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-19-12-6-9-15(18)16(10-11-17)13-14-7-4-3-5-8-14/h3-5,7-8,17H,2,6,9-13H2,1H3
InChIKeyDJGVDBHMIVLXFS-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
N-(2-Hydroxyethyl)-N,N-dimethylbenzenemethanaminium
CID 25772
2-Pyrrolidinone, 1-(phenylmethyl)-5-propoxy-, (+-)-
CID 3077959
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960
1-Benzyl-5-butoxypyrrolidin-2-one
CID 3077961
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, 5-(nonyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077975

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide?
The IUPAC name of N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide (CID 112729241) is N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide is CCOCCCC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide?
The InChIKey is DJGVDBHMIVLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-12-6-9-15(18)16(10-11-17)13-14-7-4-3-5-8-14/h3-5,7-8,17H,2,6,9-13H2,1H3.
What are the key properties of N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide?
N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide has a molecular weight of 265.35 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 112729241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).