N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide

C16H18N2O2 — CID 82826934

IUPACN-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C16H18N2O2/c1-11-14(7-4-8-15(11)19)16(20)18(2)10-12-5-3-6-13(17)9-12/h3-9,19H,10,17H2,1-2H3
InChIKeyAVIXWWGLAYFDLW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide

N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide (PubChem CID 82826934) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
PubChem CID82826934
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C16H18N2O2/c1-11-14(7-4-8-15(11)19)16(20)18(2)10-12-5-3-6-13(17)9-12/h3-9,19H,10,17H2,1-2H3
InChIKeyAVIXWWGLAYFDLW-UHFFFAOYSA-N
XLogP2.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
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-chloro-N,4-dimethylbenzamide
CID 106860367
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43383719
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide (CID 82826934) is N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)Cc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
The InChIKey is AVIXWWGLAYFDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-14(7-4-8-15(11)19)16(20)18(2)10-12-5-3-6-13(17)9-12/h3-9,19H,10,17H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 82826934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).