3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide

C13H20N2O2 — CID 113449772

IUPAC3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1c(N)cccc1C(=O)NCCOC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)17-8-7-15-13(16)11-5-4-6-12(14)10(11)3/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyVNYKYBWLEFQLJE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.73
Rot. Bonds5

About 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide

3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 113449772) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID113449772
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1c(N)cccc1C(=O)NCCOC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)17-8-7-15-13(16)11-5-4-6-12(14)10(11)3/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyVNYKYBWLEFQLJE-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.73
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-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide (CID 113449772) is 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide is Cc1c(N)cccc1C(=O)NCCOC(C)C.
What is the InChIKey of 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is VNYKYBWLEFQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-8-7-15-13(16)11-5-4-6-12(14)10(11)3/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide?
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 113449772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).