3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

C14H22N2O3 — CID 103033943

IUPAC3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC(C)(C)OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-4)7-8-19-11-6-5-10(13(15)16)9-12(11)17-3/h5-6,9H,7-8H2,1-4H3,(H3,15,16)
InChIKeyXKTGDNLUWFACJY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.17
Rot. Bonds7

About 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (PubChem CID 103033943) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
PubChem CID103033943
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC(C)(C)OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-4)7-8-19-11-6-5-10(13(15)16)9-12(11)17-3/h5-6,9H,7-8H2,1-4H3,(H3,15,16)
InChIKeyXKTGDNLUWFACJY-UHFFFAOYSA-N
XLogP2.17
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarboximidamide
CID 55160801
2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033946
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
4-(bromomethyl)-2-methoxy-1-(3-methoxy-3-methylbutoxy)benzene
CID 103034286
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
4-(3-hydroxy-3-methylbutoxy)-3-methoxybenzenecarbothioamide
CID 79355160
4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The IUPAC name of 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (CID 103033943) is 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCC(C)(C)OC)c(OC)c1.
What is the InChIKey of 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The InChIKey is XKTGDNLUWFACJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,18-4)7-8-19-11-6-5-10(13(15)16)9-12(11)17-3/h5-6,9H,7-8H2,1-4H3,(H3,15,16).
What are the key properties of 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide has a molecular weight of 266.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is sourced from PubChem (CID 103033943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).