2-amino-3-(1-methoxypropan-2-yloxy)benzamide

C11H16N2O3 — CID 115547300

IUPAC2-amino-3-(1-methoxypropan-2-yloxy)benzamide
SMILESCOCC(C)Oc1cccc(C(N)=O)c1N
InChIInChI=1S/C11H16N2O3/c1-7(6-15-2)16-9-5-3-4-8(10(9)12)11(13)14/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeySGUKIPCKKQGXCY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-3-(1-methoxypropan-2-yloxy)benzamide

2-amino-3-(1-methoxypropan-2-yloxy)benzamide (PubChem CID 115547300) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-3-(1-methoxypropan-2-yloxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(1-methoxypropan-2-yloxy)benzamide
PubChem CID115547300
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-3-(1-methoxypropan-2-yloxy)benzamide
SMILESCOCC(C)Oc1cccc(C(N)=O)c1N
InChIInChI=1S/C11H16N2O3/c1-7(6-15-2)16-9-5-3-4-8(10(9)12)11(13)14/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeySGUKIPCKKQGXCY-UHFFFAOYSA-N
XLogP0.78
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile
CID 104717253
2-amino-3-ethoxybenzamide
CID 70121071
2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
2-amino-3-(2-methylbutan-2-yloxy)benzamide
CID 115547085
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine
CID 168604205
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid
CID 114088665
2-amino-6-(4-methoxybutan-2-yloxy)benzoic acid
CID 107341428
2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
CID 102694295

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methoxypropan-2-yloxy)benzamide?
The IUPAC name of 2-amino-3-(1-methoxypropan-2-yloxy)benzamide (CID 115547300) is 2-amino-3-(1-methoxypropan-2-yloxy)benzamide.
What is the SMILES notation for 2-amino-3-(1-methoxypropan-2-yloxy)benzamide?
The canonical SMILES for 2-amino-3-(1-methoxypropan-2-yloxy)benzamide is COCC(C)Oc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(1-methoxypropan-2-yloxy)benzamide?
The InChIKey is SGUKIPCKKQGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(6-15-2)16-9-5-3-4-8(10(9)12)11(13)14/h3-5,7H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-3-(1-methoxypropan-2-yloxy)benzamide?
2-amino-3-(1-methoxypropan-2-yloxy)benzamide has a molecular weight of 224.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methoxypropan-2-yloxy)benzamide is sourced from PubChem (CID 115547300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).