2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide

C15H24N2O2 — CID 106006227

IUPAC2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
SMILESCc1cccc(C(=O)NCCCCOC(C)C)c1N
InChIInChI=1S/C15H24N2O2/c1-11(2)19-10-5-4-9-17-15(18)13-8-6-7-12(3)14(13)16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyONNGSHPREOQDOU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.51
Rot. Bonds7

About 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide

2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide (PubChem CID 106006227) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
PubChem CID106006227
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
SMILESCc1cccc(C(=O)NCCCCOC(C)C)c1N
InChIInChI=1S/C15H24N2O2/c1-11(2)19-10-5-4-9-17-15(18)13-8-6-7-12(3)14(13)16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyONNGSHPREOQDOU-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.51
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

2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide (CID 106006227) is 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide is Cc1cccc(C(=O)NCCCCOC(C)C)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide?
The InChIKey is ONNGSHPREOQDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)19-10-5-4-9-17-15(18)13-8-6-7-12(3)14(13)16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide?
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide is sourced from PubChem (CID 106006227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).