[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide

C31H30N4O2-2 — CID 101430985

IUPAC[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide
SMILESCOc1ccc(/N=C(\[N-]CCC[N-]/C(=N/c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N4O2/c1-36-28-18-14-26(15-19-28)34-30(24-10-5-3-6-11-24)32-22-9-23-33-31(25-12-7-4-8-13-25)35-27-16-20-29(37-2)21-17-27/h3-8,10-21H,9,22-23H2,1-2H3/q-2
InChIKeyDWXNACZKAVHLKO-UHFFFAOYSA-N
MW490.61 g/mol
LogP7.70
Rot. Bonds10

About [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide

[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide (PubChem CID 101430985) has the molecular formula C31H30N4O2-2 and a molecular weight of 490.61 g/mol. Its IUPAC name is [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide.

Molecular Properties

Compound Name[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide
PubChem CID101430985
Molecular FormulaC31H30N4O2-2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC Name[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide
SMILESCOc1ccc(/N=C(\[N-]CCC[N-]/C(=N/c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N4O2/c1-36-28-18-14-26(15-19-28)34-30(24-10-5-3-6-11-24)32-22-9-23-33-31(25-12-7-4-8-13-25)35-27-16-20-29(37-2)21-17-27/h3-8,10-21H,9,22-23H2,1-2H3/q-2
InChIKeyDWXNACZKAVHLKO-UHFFFAOYSA-N
XLogP7.70
TPSA71.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
(2E,4E)-N-(4-methoxyphenyl)-1,5-diphenylpenta-2,4-dien-1-imine
CID 134851984
CID 59957109
CID 59957109
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide
CID 525856
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
ethyl 2-bromo-3-(4-methoxyphenyl)imino-3-phenylpropanoate
CID 154707933
1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
CID 144623857
N-(4-methoxyphenyl)butan-2-imine
CID 15683591
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
1-(2-fluorophenyl)-N-(4-methoxyphenyl)ethanimine
CID 11299513

Frequently Asked Questions

What is the IUPAC name of [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide?
The IUPAC name of [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide (CID 101430985) is [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide.
What is the SMILES notation for [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide?
The canonical SMILES for [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide is COc1ccc(/N=C(\[N-]CCC[N-]/C(=N/c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide?
The InChIKey is DWXNACZKAVHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-36-28-18-14-26(15-19-28)34-30(24-10-5-3-6-11-24)32-22-9-23-33-31(25-12-7-4-8-13-25)35-27-16-20-29(37-2)21-17-27/h3-8,10-21H,9,22-23H2,1-2H3/q-2.
What are the key properties of [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide?
[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide has a molecular weight of 490.61 g/mol, XLogP of 7.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide is sourced from PubChem (CID 101430985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).