3-amino-4-hexoxybenzamide

C13H20N2O2 — CID 43448578

IUPAC3-amino-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-8-17-12-7-6-10(13(15)16)9-11(12)14/h6-7,9H,2-5,8,14H2,1H3,(H2,15,16)
InChIKeyCFMSTBDXDNRDBD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds7

About 3-amino-4-hexoxybenzamide

3-amino-4-hexoxybenzamide (PubChem CID 43448578) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-4-hexoxybenzamide.

Molecular Properties

Compound Name3-amino-4-hexoxybenzamide
PubChem CID43448578
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-8-17-12-7-6-10(13(15)16)9-11(12)14/h6-7,9H,2-5,8,14H2,1H3,(H2,15,16)
InChIKeyCFMSTBDXDNRDBD-UHFFFAOYSA-N
XLogP2.33
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-hexoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-octoxybenzamide
CID 43448577
3-amino-4-butoxybenzamide
CID 43448596
4-methoxy-3-pentoxybenzamide
CID 82041442
3-chloro-4-dodecoxybenzamide
CID 172740881
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
4-(3-amino-4-octoxyphenyl)benzoic acid
CID 22131860
3-amino-4-(2-butoxyethoxy)benzoic acid
CID 54888103
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
4-butoxy-3-methoxybenzamide
CID 47102628
4-amino-3-propoxybenzamide
CID 63356295
1-(3-amino-4-butoxyphenyl)-2,2,2-trifluoroethanone
CID 82152534
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hexoxybenzamide?
The IUPAC name of 3-amino-4-hexoxybenzamide (CID 43448578) is 3-amino-4-hexoxybenzamide.
What is the SMILES notation for 3-amino-4-hexoxybenzamide?
The canonical SMILES for 3-amino-4-hexoxybenzamide is CCCCCCOc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-hexoxybenzamide?
The InChIKey is CFMSTBDXDNRDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-5-8-17-12-7-6-10(13(15)16)9-11(12)14/h6-7,9H,2-5,8,14H2,1H3,(H2,15,16).
What are the key properties of 3-amino-4-hexoxybenzamide?
3-amino-4-hexoxybenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hexoxybenzamide is sourced from PubChem (CID 43448578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).