1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone

C16H18N2O2 — CID 96667576

IUPAC1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
SMILESCOc1cccc(NCC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-12(8-15(11)17)16(19)10-18-13-4-3-5-14(9-13)20-2/h3-9,18H,10,17H2,1-2H3
InChIKeyLRBHXONJKFGXAL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone

1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone (PubChem CID 96667576) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
PubChem CID96667576
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
SMILESCOc1cccc(NCC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-12(8-15(11)17)16(19)10-18-13-4-3-5-14(9-13)20-2/h3-9,18H,10,17H2,1-2H3
InChIKeyLRBHXONJKFGXAL-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
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

2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
CID 82483415
1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
CID 82482003
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
(3-methoxyphenyl)methyl 3-amino-4-methylbenzoate
CID 60730922
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
3-(3-methoxyanilino)propanamide
CID 43131962
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone (CID 96667576) is 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone is COc1cccc(NCC(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone?
The InChIKey is LRBHXONJKFGXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-7-12(8-15(11)17)16(19)10-18-13-4-3-5-14(9-13)20-2/h3-9,18H,10,17H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone?
1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone is sourced from PubChem (CID 96667576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).