2-(4-methoxyphenyl)-5-phenylnonanimidamide

C22H30N2O — CID 173345917

IUPAC2-(4-methoxyphenyl)-5-phenylnonanimidamide
SMILES[H]/N=C(\N)C(CCC(CCCC)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O/c1-3-4-8-18(17-9-6-5-7-10-17)13-16-21(22(23)24)19-11-14-20(25-2)15-12-19/h5-7,9-12,14-15,18,21H,3-4,8,13,16H2,1-2H3,(H3,23,24)
InChIKeyYSKKSJAVCYLYFT-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.47
Rot. Bonds10

About 2-(4-methoxyphenyl)-5-phenylnonanimidamide

2-(4-methoxyphenyl)-5-phenylnonanimidamide (PubChem CID 173345917) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-phenylnonanimidamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-phenylnonanimidamide
PubChem CID173345917
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-(4-methoxyphenyl)-5-phenylnonanimidamide
SMILES[H]/N=C(\N)C(CCC(CCCC)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O/c1-3-4-8-18(17-9-6-5-7-10-17)13-16-21(22(23)24)19-11-14-20(25-2)15-12-19/h5-7,9-12,14-15,18,21H,3-4,8,13,16H2,1-2H3,(H3,23,24)
InChIKeyYSKKSJAVCYLYFT-UHFFFAOYSA-N
XLogP5.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-nonan-5-ylbenzene
CID 14937032
3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
10-phenyltetradecan-5-ylbenzene
CID 22891787
3-[methyl(pentyl)amino]-2-phenylpropanimidamide
CID 64536672
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
anisole;guanidine
CID 172735542
2-(4-methoxyphenyl)hexanoate
CID 19815864
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
3-phenylheptanamide
CID 91447364
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-phenylnonanimidamide?
The IUPAC name of 2-(4-methoxyphenyl)-5-phenylnonanimidamide (CID 173345917) is 2-(4-methoxyphenyl)-5-phenylnonanimidamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-phenylnonanimidamide?
The canonical SMILES for 2-(4-methoxyphenyl)-5-phenylnonanimidamide is [H]/N=C(\N)C(CCC(CCCC)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-phenylnonanimidamide?
The InChIKey is YSKKSJAVCYLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-3-4-8-18(17-9-6-5-7-10-17)13-16-21(22(23)24)19-11-14-20(25-2)15-12-19/h5-7,9-12,14-15,18,21H,3-4,8,13,16H2,1-2H3,(H3,23,24).
What are the key properties of 2-(4-methoxyphenyl)-5-phenylnonanimidamide?
2-(4-methoxyphenyl)-5-phenylnonanimidamide has a molecular weight of 338.50 g/mol, XLogP of 5.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-phenylnonanimidamide is sourced from PubChem (CID 173345917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).