2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide

C13H19N3O4 — CID 60980090

IUPAC2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)CN)cc1CO
InChIInChI=1S/C13H19N3O4/c1-2-20-11-4-3-10(5-9(11)8-17)16-13(19)7-15-12(18)6-14/h3-5,17H,2,6-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyIAJZFDWUSQWBII-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.41
Rot. Bonds7

About 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide

2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide (PubChem CID 60980090) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
PubChem CID60980090
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)CN)cc1CO
InChIInChI=1S/C13H19N3O4/c1-2-20-11-4-3-10(5-9(11)8-17)16-13(19)7-15-12(18)6-14/h3-5,17H,2,6-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyIAJZFDWUSQWBII-UHFFFAOYSA-N
XLogP-0.41
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
CID 60980339
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
CID 81087961
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide (CID 60980090) is 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide is CCOc1ccc(NC(=O)CNC(=O)CN)cc1CO.
What is the InChIKey of 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide?
The InChIKey is IAJZFDWUSQWBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-20-11-4-3-10(5-9(11)8-17)16-13(19)7-15-12(18)6-14/h3-5,17H,2,6-8,14H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60980090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).