2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide

C13H19N3O3 — CID 60685820

IUPAC2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
SMILESCCN(CCO)CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-2-16(7-8-17)9-12(18)15-11-6-4-3-5-10(11)13(14)19/h3-6,17H,2,7-9H2,1H3,(H2,14,19)(H,15,18)
InChIKeyREFCXCVUAIELFB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.04
Rot. Bonds7

About 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide

2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide (PubChem CID 60685820) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
PubChem CID60685820
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
SMILESCCN(CCO)CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-2-16(7-8-17)9-12(18)15-11-6-4-3-5-10(11)13(14)19/h3-6,17H,2,7-9H2,1H3,(H2,14,19)(H,15,18)
InChIKeyREFCXCVUAIELFB-UHFFFAOYSA-N
XLogP0.04
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide (CID 60685820) is 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide is CCN(CCO)CC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide?
The InChIKey is REFCXCVUAIELFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-16(7-8-17)9-12(18)15-11-6-4-3-5-10(11)13(14)19/h3-6,17H,2,7-9H2,1H3,(H2,14,19)(H,15,18).
What are the key properties of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide?
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 60685820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).