N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide

C15H16N2O3 — CID 107721381

IUPACN-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H16N2O3/c1-17(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)19/h2-8,18-19H,9,16H2,1H3
InChIKeyXGYRJIVKIGXZRC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.95
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide

N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide (PubChem CID 107721381) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
PubChem CID107721381
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H16N2O3/c1-17(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)19/h2-8,18-19H,9,16H2,1H3
InChIKeyXGYRJIVKIGXZRC-UHFFFAOYSA-N
XLogP1.95
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
CID 107722501
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide (CID 107721381) is N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide is CN(Cc1cccc(N)c1)C(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide?
The InChIKey is XGYRJIVKIGXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)19/h2-8,18-19H,9,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide?
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107721381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).