N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide

C16H19N3O2 — CID 143586578

IUPACN-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide
SMILESCOc1cc(N)ccc1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-9-14(18)7-4-12(15)10-19-16(20)8-11-2-5-13(17)6-3-11/h2-7,9H,8,10,17-18H2,1H3,(H,19,20)
InChIKeyYLBZRCAFSXFQGI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds5

About N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide

N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide (PubChem CID 143586578) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide
PubChem CID143586578
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide
SMILESCOc1cc(N)ccc1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-9-14(18)7-4-12(15)10-19-16(20)8-11-2-5-13(17)6-3-11/h2-7,9H,8,10,17-18H2,1H3,(H,19,20)
InChIKeyYLBZRCAFSXFQGI-UHFFFAOYSA-N
XLogP1.72
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
ethyl 2-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]-2-oxoacetate
CID 70658842
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide?
The IUPAC name of N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide (CID 143586578) is N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide.
What is the SMILES notation for N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide?
The canonical SMILES for N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide is COc1cc(N)ccc1CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide?
The InChIKey is YLBZRCAFSXFQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-15-9-14(18)7-4-12(15)10-19-16(20)8-11-2-5-13(17)6-3-11/h2-7,9H,8,10,17-18H2,1H3,(H,19,20).
What are the key properties of N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide?
N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide is sourced from PubChem (CID 143586578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).