3-amino-4-(2-propoxyethoxy)benzamide

C12H18N2O3 — CID 63684317

IUPAC3-amino-4-(2-propoxyethoxy)benzamide
SMILESCCCOCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N2O3/c1-2-5-16-6-7-17-11-4-3-9(12(14)15)8-10(11)13/h3-4,8H,2,5-7,13H2,1H3,(H2,14,15)
InChIKeyVTCOLRZDHMLTRM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.17
Rot. Bonds7

About 3-amino-4-(2-propoxyethoxy)benzamide

3-amino-4-(2-propoxyethoxy)benzamide (PubChem CID 63684317) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-4-(2-propoxyethoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(2-propoxyethoxy)benzamide
PubChem CID63684317
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-4-(2-propoxyethoxy)benzamide
SMILESCCCOCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N2O3/c1-2-5-16-6-7-17-11-4-3-9(12(14)15)8-10(11)13/h3-4,8H,2,5-7,13H2,1H3,(H2,14,15)
InChIKeyVTCOLRZDHMLTRM-UHFFFAOYSA-N
XLogP1.17
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-propoxyethoxy)benzamide?
The IUPAC name of 3-amino-4-(2-propoxyethoxy)benzamide (CID 63684317) is 3-amino-4-(2-propoxyethoxy)benzamide.
What is the SMILES notation for 3-amino-4-(2-propoxyethoxy)benzamide?
The canonical SMILES for 3-amino-4-(2-propoxyethoxy)benzamide is CCCOCCOc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(2-propoxyethoxy)benzamide?
The InChIKey is VTCOLRZDHMLTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-5-16-6-7-17-11-4-3-9(12(14)15)8-10(11)13/h3-4,8H,2,5-7,13H2,1H3,(H2,14,15).
What are the key properties of 3-amino-4-(2-propoxyethoxy)benzamide?
3-amino-4-(2-propoxyethoxy)benzamide has a molecular weight of 238.29 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-propoxyethoxy)benzamide is sourced from PubChem (CID 63684317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).