4-amino-3-propoxybenzamide

C10H14N2O2 — CID 63356295

IUPAC4-amino-3-propoxybenzamide
SMILESCCCOc1cc(C(N)=O)ccc1N
InChIInChI=1S/C10H14N2O2/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13)
InChIKeyJTJNDEOZXNWNQB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds4

About 4-amino-3-propoxybenzamide

4-amino-3-propoxybenzamide (PubChem CID 63356295) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-amino-3-propoxybenzamide.

Molecular Properties

Compound Name4-amino-3-propoxybenzamide
PubChem CID63356295
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-amino-3-propoxybenzamide
SMILESCCCOc1cc(C(N)=O)ccc1N
InChIInChI=1S/C10H14N2O2/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13)
InChIKeyJTJNDEOZXNWNQB-UHFFFAOYSA-N
XLogP1.16
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
3-amino-4-butoxybenzamide
CID 43448596
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
4-amino-3-(2-phenoxyethoxy)benzamide
CID 63356795
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
4-methyl-2-propoxyaniline
CID 24698653
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79680114

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-propoxybenzamide?
The IUPAC name of 4-amino-3-propoxybenzamide (CID 63356295) is 4-amino-3-propoxybenzamide.
What is the SMILES notation for 4-amino-3-propoxybenzamide?
The canonical SMILES for 4-amino-3-propoxybenzamide is CCCOc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-propoxybenzamide?
The InChIKey is JTJNDEOZXNWNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13).
What are the key properties of 4-amino-3-propoxybenzamide?
4-amino-3-propoxybenzamide has a molecular weight of 194.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-propoxybenzamide is sourced from PubChem (CID 63356295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).