2-pentoxy-3-phenoxybenzenecarboximidamide

C18H22N2O2 — CID 154301739

IUPAC2-pentoxy-3-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccccc2)c1OCCCCC
InChIInChI=1S/C18H22N2O2/c1-2-3-7-13-21-17-15(18(19)20)11-8-12-16(17)22-14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H3,19,20)
InChIKeyZTQOEIYNCIYHHQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.33
Rot. Bonds8

About 2-pentoxy-3-phenoxybenzenecarboximidamide

2-pentoxy-3-phenoxybenzenecarboximidamide (PubChem CID 154301739) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-pentoxy-3-phenoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-pentoxy-3-phenoxybenzenecarboximidamide
PubChem CID154301739
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-pentoxy-3-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccccc2)c1OCCCCC
InChIInChI=1S/C18H22N2O2/c1-2-3-7-13-21-17-15(18(19)20)11-8-12-16(17)22-14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H3,19,20)
InChIKeyZTQOEIYNCIYHHQ-UHFFFAOYSA-N
XLogP4.33
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
3-methoxy-2-pentoxybenzenecarbothioamide
CID 20987605
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
2-bromo-6-octoxybenzenecarboximidamide
CID 114884017
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
4-(2-phenoxybenzoyl)benzenecarboximidamide
CID 71388814
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
1,2-diethyl-3-hexoxy-4-phenoxybenzene
CID 175596761
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-3-phenoxybenzenecarboximidamide?
The IUPAC name of 2-pentoxy-3-phenoxybenzenecarboximidamide (CID 154301739) is 2-pentoxy-3-phenoxybenzenecarboximidamide.
What is the SMILES notation for 2-pentoxy-3-phenoxybenzenecarboximidamide?
The canonical SMILES for 2-pentoxy-3-phenoxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2ccccc2)c1OCCCCC.
What is the InChIKey of 2-pentoxy-3-phenoxybenzenecarboximidamide?
The InChIKey is ZTQOEIYNCIYHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-3-7-13-21-17-15(18(19)20)11-8-12-16(17)22-14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H3,19,20).
What are the key properties of 2-pentoxy-3-phenoxybenzenecarboximidamide?
2-pentoxy-3-phenoxybenzenecarboximidamide has a molecular weight of 298.39 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-3-phenoxybenzenecarboximidamide is sourced from PubChem (CID 154301739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).