N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide

C11H16N2O3 — CID 63754284

IUPACN-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
SMILESNCCOCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O3/c12-4-6-16-7-5-13-11(15)9-2-1-3-10(14)8-9/h1-3,8,14H,4-7,12H2,(H,13,15)
InChIKeyLJWPORHWEVKUCF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.10
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide

N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide (PubChem CID 63754284) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
PubChem CID63754284
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
SMILESNCCOCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O3/c12-4-6-16-7-5-13-11(15)9-2-1-3-10(14)8-9/h1-3,8,14H,4-7,12H2,(H,13,15)
InChIKeyLJWPORHWEVKUCF-UHFFFAOYSA-N
XLogP0.10
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
CID 55090903
N-[2-(2-aminoethoxy)ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
CID 145379120
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
tert-butyl N-[2-[2-[(3-hydroxybenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537178
2-[(3-hydroxybenzoyl)amino]ethanesulfonic acid
CID 155758744

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide (CID 63754284) is N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide is NCCOCCNC(=O)c1cccc(O)c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide?
The InChIKey is LJWPORHWEVKUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-4-6-16-7-5-13-11(15)9-2-1-3-10(14)8-9/h1-3,8,14H,4-7,12H2,(H,13,15).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide?
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide has a molecular weight of 224.26 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 63754284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).