4-amino-N,N-bis(2-hydroxyethyl)benzamide

C11H16N2O3 — CID 3147191

IUPAC4-amino-N,N-bis(2-hydroxyethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C11H16N2O3/c12-10-3-1-9(2-4-10)11(16)13(5-7-14)6-8-15/h1-4,14-15H,5-8,12H2
InChIKeyXJVUYXJYKPMMFM-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.30
Rot. Bonds5

About 4-amino-N,N-bis(2-hydroxyethyl)benzamide

4-amino-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 3147191) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID3147191
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-amino-N,N-bis(2-hydroxyethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C11H16N2O3/c12-10-3-1-9(2-4-10)11(16)13(5-7-14)6-8-15/h1-4,14-15H,5-8,12H2
InChIKeyXJVUYXJYKPMMFM-UHFFFAOYSA-N
XLogP-0.30
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)benzamide (CID 3147191) is 4-amino-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-amino-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-amino-N,N-bis(2-hydroxyethyl)benzamide is Nc1ccc(C(=O)N(CCO)CCO)cc1.
What is the InChIKey of 4-amino-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is XJVUYXJYKPMMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-10-3-1-9(2-4-10)11(16)13(5-7-14)6-8-15/h1-4,14-15H,5-8,12H2.
What are the key properties of 4-amino-N,N-bis(2-hydroxyethyl)benzamide?
4-amino-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 224.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 3147191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).