5-amino-2-butoxybenzamide

C11H16N2O2 — CID 61305277

IUPAC5-amino-2-butoxybenzamide
SMILESCCCCOc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyXDWTWCMDBDPKRD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds5

About 5-amino-2-butoxybenzamide

5-amino-2-butoxybenzamide (PubChem CID 61305277) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-2-butoxybenzamide.

Molecular Properties

Compound Name5-amino-2-butoxybenzamide
PubChem CID61305277
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-amino-2-butoxybenzamide
SMILESCCCCOc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N2O2/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyXDWTWCMDBDPKRD-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

5-amino-2-butoxybenzoate
CID 23167453
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
CID 106956131
methyl 5-amino-2-heptoxybenzoate
CID 61306699
5-amino-2-(2-methylpentoxy)benzamide
CID 103284499
5-amino-N-[5-[(5-amino-2-butoxybenzoyl)amino]-2,4-dioctoxyphenyl]-2-butoxybenzamide
CID 102030458
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
4-amino-2-nonoxybenzoic acid
CID 106954713
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
3-amino-4-butoxybenzamide
CID 43448596

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butoxybenzamide?
The IUPAC name of 5-amino-2-butoxybenzamide (CID 61305277) is 5-amino-2-butoxybenzamide.
What is the SMILES notation for 5-amino-2-butoxybenzamide?
The canonical SMILES for 5-amino-2-butoxybenzamide is CCCCOc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-butoxybenzamide?
The InChIKey is XDWTWCMDBDPKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H2,13,14).
What are the key properties of 5-amino-2-butoxybenzamide?
5-amino-2-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 5-amino-2-butoxybenzamide is sourced from PubChem (CID 61305277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).