N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide

C16H18N2O3 — CID 61031629

IUPACN-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCCOc2ccccc2N)c1
InChIInChI=1S/C16H18N2O3/c1-11-6-7-14(19)12(10-11)16(20)18-8-9-21-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyCZOKCQVUDWIELC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide

N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide (PubChem CID 61031629) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
PubChem CID61031629
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCCOc2ccccc2N)c1
InChIInChI=1S/C16H18N2O3/c1-11-6-7-14(19)12(10-11)16(20)18-8-9-21-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyCZOKCQVUDWIELC-UHFFFAOYSA-N
XLogP2.09
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702196
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
CID 79456992
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
CID 39447567
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide (CID 61031629) is N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCCOc2ccccc2N)c1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is CZOKCQVUDWIELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-6-7-14(19)12(10-11)16(20)18-8-9-21-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide?
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 61031629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).