2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide

C13H18N2O4 — CID 106911779

IUPAC2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
SMILESNCCOCC(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H18N2O4/c14-5-6-17-9-12(16)15-11-3-1-10(2-4-11)13-18-7-8-19-13/h1-4,13H,5-9,14H2,(H,15,16)
InChIKeyYFZBQVOODQHUEZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.65
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide

2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide (PubChem CID 106911779) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
PubChem CID106911779
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
SMILESNCCOCC(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H18N2O4/c14-5-6-17-9-12(16)15-11-3-1-10(2-4-11)13-18-7-8-19-13/h1-4,13H,5-9,14H2,(H,15,16)
InChIKeyYFZBQVOODQHUEZ-UHFFFAOYSA-N
XLogP0.65
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
2-(2-aminoethoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 79473221
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
2-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylacetamide
CID 110732815
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106909816
3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911810
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
CID 106911851

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide (CID 106911779) is 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide is NCCOCC(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide?
The InChIKey is YFZBQVOODQHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-5-6-17-9-12(16)15-11-3-1-10(2-4-11)13-18-7-8-19-13/h1-4,13H,5-9,14H2,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide?
2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 106911779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).