3-(2-aminoethoxy)-N-phenylmethoxypropanamide

C12H18N2O3 — CID 130524558

IUPAC3-(2-aminoethoxy)-N-phenylmethoxypropanamide
SMILESNCCOCCC(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O3/c13-7-9-16-8-6-12(15)14-17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyKYZZHNHTWPWXJN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.60
Rot. Bonds8

About 3-(2-aminoethoxy)-N-phenylmethoxypropanamide

3-(2-aminoethoxy)-N-phenylmethoxypropanamide (PubChem CID 130524558) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-phenylmethoxypropanamide
PubChem CID130524558
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(2-aminoethoxy)-N-phenylmethoxypropanamide
SMILESNCCOCCC(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O3/c13-7-9-16-8-6-12(15)14-17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyKYZZHNHTWPWXJN-UHFFFAOYSA-N
XLogP0.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-phenylmethoxyheptanamide
CID 59535540
8-amino-N-phenylmethoxyoctanamide;ethane;ethene
CID 143768165
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
N-phenylmethoxyhexanamide
CID 60717350
4-amino-N-phenylmethoxypentanamide
CID 64974762
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
CID 59535547
[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
CID 59535539
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
CID 59535491

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-phenylmethoxypropanamide?
The IUPAC name of 3-(2-aminoethoxy)-N-phenylmethoxypropanamide (CID 130524558) is 3-(2-aminoethoxy)-N-phenylmethoxypropanamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-phenylmethoxypropanamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-phenylmethoxypropanamide is NCCOCCC(=O)NOCc1ccccc1.
What is the InChIKey of 3-(2-aminoethoxy)-N-phenylmethoxypropanamide?
The InChIKey is KYZZHNHTWPWXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-7-9-16-8-6-12(15)14-17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15).
What are the key properties of 3-(2-aminoethoxy)-N-phenylmethoxypropanamide?
3-(2-aminoethoxy)-N-phenylmethoxypropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-phenylmethoxypropanamide is sourced from PubChem (CID 130524558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).