N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide

C16H18N2O3 — CID 107670603

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(O)cc2C)cc1N
InChIInChI=1S/C16H18N2O3/c1-10-7-12(19)4-5-13(10)16(20)18-9-11-3-6-15(21-2)14(17)8-11/h3-8,19H,9,17H2,1-2H3,(H,18,20)
InChIKeyCVLRMSMTOUXMJO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.22
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide

N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide (PubChem CID 107670603) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
PubChem CID107670603
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(O)cc2C)cc1N
InChIInChI=1S/C16H18N2O3/c1-10-7-12(19)4-5-13(10)16(20)18-9-11-3-6-15(21-2)14(17)8-11/h3-8,19H,9,17H2,1-2H3,(H,18,20)
InChIKeyCVLRMSMTOUXMJO-UHFFFAOYSA-N
XLogP2.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.22
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-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
CID 107670516
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide (CID 107670603) is N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide is COc1ccc(CNC(=O)c2ccc(O)cc2C)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide?
The InChIKey is CVLRMSMTOUXMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-7-12(19)4-5-13(10)16(20)18-9-11-3-6-15(21-2)14(17)8-11/h3-8,19H,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107670603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).