2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide

C12H19N3O2 — CID 113393311

IUPAC2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(N(C)CC(N)=O)c1N
InChIInChI=1S/C12H19N3O2/c1-8(2)17-10-6-4-5-9(12(10)14)15(3)7-11(13)16/h4-6,8H,7,14H2,1-3H3,(H2,13,16)
InChIKeyNMPDZEABUFOGAJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds5

About 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide

2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide (PubChem CID 113393311) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
PubChem CID113393311
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(N(C)CC(N)=O)c1N
InChIInChI=1S/C12H19N3O2/c1-8(2)17-10-6-4-5-9(12(10)14)15(3)7-11(13)16/h4-6,8H,7,14H2,1-3H3,(H2,13,16)
InChIKeyNMPDZEABUFOGAJ-UHFFFAOYSA-N
XLogP0.98
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
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

3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
1-N-methyl-1-N-[2-(methylamino)ethyl]-3-propan-2-yloxybenzene-1,2-diamine
CID 113393377
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol
CID 113393349
2-(N-acetyl-2-propan-2-yloxyanilino)-N,N-dimethylacetamide
CID 3026215
2-[(2-amino-2-oxoethyl)-methylamino]benzamide
CID 68633336
4-(2-propan-2-yloxyphenyl)but-3-ynamide
CID 170473356
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
CID 114041230
1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea
CID 155217818
methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
CID 117029474
2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide
CID 43451444
2-[2-(4-fluorophenyl)-N-methylanilino]acetamide
CID 54226152

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide?
The IUPAC name of 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide (CID 113393311) is 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide?
The canonical SMILES for 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide is CC(C)Oc1cccc(N(C)CC(N)=O)c1N.
What is the InChIKey of 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide?
The InChIKey is NMPDZEABUFOGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)17-10-6-4-5-9(12(10)14)15(3)7-11(13)16/h4-6,8H,7,14H2,1-3H3,(H2,13,16).
What are the key properties of 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide?
2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 113393311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).