5-amino-2-(2-methylpentoxy)benzamide

C13H20N2O2 — CID 103284499

IUPAC5-amino-2-(2-methylpentoxy)benzamide
SMILESCCCC(C)COc1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-4-9(2)8-17-12-6-5-10(14)7-11(12)13(15)16/h5-7,9H,3-4,8,14H2,1-2H3,(H2,15,16)
InChIKeyVUHLUCRGJYCZBT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.18
Rot. Bonds6

About 5-amino-2-(2-methylpentoxy)benzamide

5-amino-2-(2-methylpentoxy)benzamide (PubChem CID 103284499) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-2-(2-methylpentoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-methylpentoxy)benzamide
PubChem CID103284499
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-2-(2-methylpentoxy)benzamide
SMILESCCCC(C)COc1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-4-9(2)8-17-12-6-5-10(14)7-11(12)13(15)16/h5-7,9H,3-4,8,14H2,1-2H3,(H2,15,16)
InChIKeyVUHLUCRGJYCZBT-UHFFFAOYSA-N
XLogP2.18
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.18
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

5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
5-amino-2-butoxybenzamide
CID 61305277
3-iodo-4-(2-methylpentoxy)aniline
CID 103282911
4-amino-N-ethyl-2-(2-methylpentoxy)benzamide
CID 103282874
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
2-amino-4-methoxy-5-(2-methylpentoxy)benzoic acid
CID 62264681

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpentoxy)benzamide?
The IUPAC name of 5-amino-2-(2-methylpentoxy)benzamide (CID 103284499) is 5-amino-2-(2-methylpentoxy)benzamide.
What is the SMILES notation for 5-amino-2-(2-methylpentoxy)benzamide?
The canonical SMILES for 5-amino-2-(2-methylpentoxy)benzamide is CCCC(C)COc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(2-methylpentoxy)benzamide?
The InChIKey is VUHLUCRGJYCZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-9(2)8-17-12-6-5-10(14)7-11(12)13(15)16/h5-7,9H,3-4,8,14H2,1-2H3,(H2,15,16).
What are the key properties of 5-amino-2-(2-methylpentoxy)benzamide?
5-amino-2-(2-methylpentoxy)benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpentoxy)benzamide is sourced from PubChem (CID 103284499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).