N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide

C16H19N3O2 — CID 66387466

IUPACN-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NCc2ccccc2N)c1
InChIInChI=1S/C16H19N3O2/c1-21-11-16(20)19-14-7-4-6-13(9-14)18-10-12-5-2-3-8-15(12)17/h2-9,18H,10-11,17H2,1H3,(H,19,20)
InChIKeyLPULDHOAENDQRF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.47
Rot. Bonds6

About N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide

N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide (PubChem CID 66387466) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
PubChem CID66387466
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NCc2ccccc2N)c1
InChIInChI=1S/C16H19N3O2/c1-21-11-16(20)19-14-7-4-6-13(9-14)18-10-12-5-2-3-8-15(12)17/h2-9,18H,10-11,17H2,1H3,(H,19,20)
InChIKeyLPULDHOAENDQRF-UHFFFAOYSA-N
XLogP2.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.47
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

tert-butyl N-[3-[(2-aminophenyl)methylamino]phenyl]carbamate
CID 107239870
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
CID 81410812
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 46671357
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide (CID 66387466) is N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(NCc2ccccc2N)c1.
What is the InChIKey of N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide?
The InChIKey is LPULDHOAENDQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-11-16(20)19-14-7-4-6-13(9-14)18-10-12-5-2-3-8-15(12)17/h2-9,18H,10-11,17H2,1H3,(H,19,20).
What are the key properties of N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide?
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide has a molecular weight of 285.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 66387466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).