N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide

C12H18N2O2 — CID 63173838

IUPACN'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide
SMILESCOc1cc(/N=C(/N)C(C)C)cc(OC)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)12(13)14-9-5-10(15-3)7-11(6-9)16-4/h5-8H,1-4H3,(H2,13,14)
InChIKeyVSWBDSVOJONKIL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.35
Rot. Bonds4

About N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide

N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide (PubChem CID 63173838) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide
PubChem CID63173838
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide
SMILESCOc1cc(/N=C(/N)C(C)C)cc(OC)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)12(13)14-9-5-10(15-3)7-11(6-9)16-4/h5-8H,1-4H3,(H2,13,14)
InChIKeyVSWBDSVOJONKIL-UHFFFAOYSA-N
XLogP2.35
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
CID 2730282
1,3,5-trimethoxybenzene;urea
CID 174919725
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
phosphane;1,3,5-trimethoxybenzene
CID 175232895
N'-[N'-(3,5-dimethoxyphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162326479
4-[(1-amino-2-methylpropylidene)amino]benzamide
CID 63173897
3-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
CID 77025200
2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
CID 77025318
2-[(3,5-dimethoxyanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369521
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
CID 96708288
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
1-amino-3-(3,5-dimethoxyphenyl)-2-propan-2-ylguanidine
CID 116511960

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide?
The IUPAC name of N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide (CID 63173838) is N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide is COc1cc(/N=C(/N)C(C)C)cc(OC)c1.
What is the InChIKey of N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide?
The InChIKey is VSWBDSVOJONKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)12(13)14-9-5-10(15-3)7-11(6-9)16-4/h5-8H,1-4H3,(H2,13,14).
What are the key properties of N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide?
N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide has a molecular weight of 222.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide is sourced from PubChem (CID 63173838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).