3-amino-4-butoxybenzamide

C11H16N2O2 — CID 43448596

IUPAC3-amino-4-butoxybenzamide
SMILESCCCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H16N2O2/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyCUYCWXMJPCLAHS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-4-butoxybenzamide

3-amino-4-butoxybenzamide (PubChem CID 43448596) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-4-butoxybenzamide.

Molecular Properties

Compound Name3-amino-4-butoxybenzamide
PubChem CID43448596
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-4-butoxybenzamide
SMILESCCCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H16N2O2/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyCUYCWXMJPCLAHS-UHFFFAOYSA-N
XLogP1.55
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
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'}

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Related Compounds

3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
4-butoxy-3-methoxybenzamide
CID 47102628
1-(3-amino-4-butoxyphenyl)-2,2,2-trifluoroethanone
CID 82152534
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
1-(3-amino-4-butoxyphenyl)-3-methylbutan-1-one
CID 82152529
3-amino-4-(2-butoxyethoxy)benzoic acid
CID 54888103
4-methoxy-3-pentoxybenzamide
CID 82041442
4-amino-3-propoxybenzamide
CID 63356295
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-butoxybenzamide?
The IUPAC name of 3-amino-4-butoxybenzamide (CID 43448596) is 3-amino-4-butoxybenzamide.
What is the SMILES notation for 3-amino-4-butoxybenzamide?
The canonical SMILES for 3-amino-4-butoxybenzamide is CCCCOc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-butoxybenzamide?
The InChIKey is CUYCWXMJPCLAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7H,2-3,6,12H2,1H3,(H2,13,14).
What are the key properties of 3-amino-4-butoxybenzamide?
3-amino-4-butoxybenzamide has a molecular weight of 208.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-butoxybenzamide is sourced from PubChem (CID 43448596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).