N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide

C15H18N2O3 — CID 43461466

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(N)cc2)c(C)o1
InChIInChI=1S/C15H18N2O3/c1-9-7-13(10(2)20-9)15(19)17-8-14(18)11-3-5-12(16)6-4-11/h3-7,14,18H,8,16H2,1-2H3,(H,17,19)
InChIKeyXUFSRFBIGBXTBU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 43461466) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID43461466
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(N)cc2)c(C)o1
InChIInChI=1S/C15H18N2O3/c1-9-7-13(10(2)20-9)15(19)17-8-14(18)11-3-5-12(16)6-4-11/h3-7,14,18H,8,16H2,1-2H3,(H,17,19)
InChIKeyXUFSRFBIGBXTBU-UHFFFAOYSA-N
XLogP1.94
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.94
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

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
CID 43461425
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide (CID 43461466) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(O)c2ccc(N)cc2)c(C)o1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XUFSRFBIGBXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-13(10(2)20-9)15(19)17-8-14(18)11-3-5-12(16)6-4-11/h3-7,14,18H,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 43461466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).