3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide

C11H16N2O3 — CID 81090063

IUPAC3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCO)c1
InChIInChI=1S/C11H16N2O3/c1-2-16-10-6-8(5-9(12)7-10)11(15)13-3-4-14/h5-7,14H,2-4,12H2,1H3,(H,13,15)
InChIKeyVRFWXRHKKWDGGD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.39
Rot. Bonds5

About 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide

3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide (PubChem CID 81090063) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
PubChem CID81090063
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCO)c1
InChIInChI=1S/C11H16N2O3/c1-2-16-10-6-8(5-9(12)7-10)11(15)13-3-4-14/h5-7,14H,2-4,12H2,1H3,(H,13,15)
InChIKeyVRFWXRHKKWDGGD-UHFFFAOYSA-N
XLogP0.39
TPSA84.58 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 ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-ethoxy-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 153269388
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 81089888
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
CID 106033344
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide (CID 81090063) is 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide is CCOc1cc(N)cc(C(=O)NCCO)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide?
The InChIKey is VRFWXRHKKWDGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-10-6-8(5-9(12)7-10)11(15)13-3-4-14/h5-7,14H,2-4,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide?
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide has a molecular weight of 224.26 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 81090063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).