4-amino-3-(2-methylpentoxy)benzamide

C13H20N2O2 — CID 103282893

IUPAC4-amino-3-(2-methylpentoxy)benzamide
SMILESCCCC(C)COc1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H20N2O2/c1-3-4-9(2)8-17-12-7-10(13(15)16)5-6-11(12)14/h5-7,9H,3-4,8,14H2,1-2H3,(H2,15,16)
InChIKeyXHWRKFINXSQQBF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.18
Rot. Bonds6

About 4-amino-3-(2-methylpentoxy)benzamide

4-amino-3-(2-methylpentoxy)benzamide (PubChem CID 103282893) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-3-(2-methylpentoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-methylpentoxy)benzamide
PubChem CID103282893
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-3-(2-methylpentoxy)benzamide
SMILESCCCC(C)COc1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H20N2O2/c1-3-4-9(2)8-17-12-7-10(13(15)16)5-6-11(12)14/h5-7,9H,3-4,8,14H2,1-2H3,(H2,15,16)
InChIKeyXHWRKFINXSQQBF-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

2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
4-amino-3-propoxybenzamide
CID 63356295
5-amino-2-(2-methylpentoxy)benzamide
CID 103284499
4-amino-3-octan-2-yloxybenzamide
CID 63356712
2-(2-methylpentoxy)aniline
CID 45075234
5-amino-6-(2-methylpentoxy)pyridine-2-carboxamide
CID 103284510
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
2-methylpentyl 3-amino-4-ethoxybenzoate
CID 55055867
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
2-amino-4-methoxy-5-(2-methylpentoxy)benzoic acid
CID 62264681
2-methylpentyl 3-amino-4-methoxybenzoate
CID 62265567

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylpentoxy)benzamide?
The IUPAC name of 4-amino-3-(2-methylpentoxy)benzamide (CID 103282893) is 4-amino-3-(2-methylpentoxy)benzamide.
What is the SMILES notation for 4-amino-3-(2-methylpentoxy)benzamide?
The canonical SMILES for 4-amino-3-(2-methylpentoxy)benzamide is CCCC(C)COc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-methylpentoxy)benzamide?
The InChIKey is XHWRKFINXSQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-9(2)8-17-12-7-10(13(15)16)5-6-11(12)14/h5-7,9H,3-4,8,14H2,1-2H3,(H2,15,16).
What are the key properties of 4-amino-3-(2-methylpentoxy)benzamide?
4-amino-3-(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 4-amino-3-(2-methylpentoxy)benzamide is sourced from PubChem (CID 103282893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).