N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide

C17H20N2O2 — CID 43461464

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccc(N)cc2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-4-3-5-15(12(11)2)17(21)19-10-16(20)13-6-8-14(18)9-7-13/h3-9,16,20H,10,18H2,1-2H3,(H,19,21)
InChIKeyDFUVUNYIAUOXDN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide (PubChem CID 43461464) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
PubChem CID43461464
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccc(N)cc2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-4-3-5-15(12(11)2)17(21)19-10-16(20)13-6-8-14(18)9-7-13/h3-9,16,20H,10,18H2,1-2H3,(H,19,21)
InChIKeyDFUVUNYIAUOXDN-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methyl-2-nitrobenzamide
CID 78866877
2,3-dimethylbenzohydrazide
CID 16790549
2-[[(2,3-dimethylbenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide (CID 43461464) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCC(O)c2ccc(N)cc2)c1C.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide?
The InChIKey is DFUVUNYIAUOXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-3-5-15(12(11)2)17(21)19-10-16(20)13-6-8-14(18)9-7-13/h3-9,16,20H,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 43461464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).