N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide

C16H18N2O3 — CID 43458368

IUPACN-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2ccccc2N)c1O
InChIInChI=1S/C16H18N2O3/c1-18(10-11-6-3-4-8-13(11)17)16(20)12-7-5-9-14(21-2)15(12)19/h3-9,19H,10,17H2,1-2H3
InChIKeyPNCPQZGQZRSLQZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide

N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide (PubChem CID 43458368) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
PubChem CID43458368
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2ccccc2N)c1O
InChIInChI=1S/C16H18N2O3/c1-18(10-11-6-3-4-8-13(11)17)16(20)12-7-5-9-14(21-2)15(12)19/h3-9,19H,10,17H2,1-2H3
InChIKeyPNCPQZGQZRSLQZ-UHFFFAOYSA-N
XLogP2.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide (CID 43458368) is N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)Cc2ccccc2N)c1O.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The InChIKey is PNCPQZGQZRSLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(10-11-6-3-4-8-13(11)17)16(20)12-7-5-9-14(21-2)15(12)19/h3-9,19H,10,17H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 43458368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).