N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide

C14H21NO4 — CID 60654444

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCOCCO
InChIInChI=1S/C14H21NO4/c1-2-13(19-12-6-4-3-5-7-12)14(17)15-8-10-18-11-9-16/h3-7,13,16H,2,8-11H2,1H3,(H,15,17)
InChIKeyXRRMIQDHHAKBHY-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.97
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide

N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide (PubChem CID 60654444) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
PubChem CID60654444
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCOCCO
InChIInChI=1S/C14H21NO4/c1-2-13(19-12-6-4-3-5-7-12)14(17)15-8-10-18-11-9-16/h3-7,13,16H,2,8-11H2,1H3,(H,15,17)
InChIKeyXRRMIQDHHAKBHY-UHFFFAOYSA-N
XLogP0.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
N-(2-methylprop-2-enyl)-2-phenoxybutanamide
CID 114618279
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide (CID 60654444) is N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide?
The InChIKey is XRRMIQDHHAKBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-13(19-12-6-4-3-5-7-12)14(17)15-8-10-18-11-9-16/h3-7,13,16H,2,8-11H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide has a molecular weight of 267.32 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide is sourced from PubChem (CID 60654444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).