N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide

C16H19N3O — CID 61362567

IUPACN-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
SMILESCOc1ccc(CC/C(=N/c2ccccc2)NN)cc1
InChIInChI=1S/C16H19N3O/c1-20-15-10-7-13(8-11-15)9-12-16(19-17)18-14-5-3-2-4-6-14/h2-8,10-11H,9,12,17H2,1H3,(H,18,19)
InChIKeyPPKXWISYQGTUFN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.82
Rot. Bonds5

About N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide

N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide (PubChem CID 61362567) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide.

Molecular Properties

Compound NameN-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
PubChem CID61362567
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
SMILESCOc1ccc(CC/C(=N/c2ccccc2)NN)cc1
InChIInChI=1S/C16H19N3O/c1-20-15-10-7-13(8-11-15)9-12-16(19-17)18-14-5-3-2-4-6-14/h2-8,10-11H,9,12,17H2,1H3,(H,18,19)
InChIKeyPPKXWISYQGTUFN-UHFFFAOYSA-N
XLogP2.82
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide
CID 61362269
N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
CID 61362907
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165
N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide
CID 525856
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
CID 11287975
CID 11287975
N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide
CID 61363318
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855

Frequently Asked Questions

What is the IUPAC name of N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide?
The IUPAC name of N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide (CID 61362567) is N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide.
What is the SMILES notation for N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide?
The canonical SMILES for N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide is COc1ccc(CC/C(=N/c2ccccc2)NN)cc1.
What is the InChIKey of N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide?
The InChIKey is PPKXWISYQGTUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-15-10-7-13(8-11-15)9-12-16(19-17)18-14-5-3-2-4-6-14/h2-8,10-11H,9,12,17H2,1H3,(H,18,19).
What are the key properties of N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide?
N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide has a molecular weight of 269.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide is sourced from PubChem (CID 61362567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).