methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide

C16H26N2O4 — CID 174839459

IUPACmethyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)C)c1.CCCC(=O)OOC
InChIInChI=1S/C11H16N2O.C5H10O3/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14;1-3-4-5(6)8-7-2/h4-8,12H,1-3H3,(H,13,14);3-4H2,1-2H3
InChIKeyAIOMFCJZQOAGRV-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.36
Rot. Bonds6

About methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide

methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide (PubChem CID 174839459) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound Namemethyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide
PubChem CID174839459
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Namemethyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)C)c1.CCCC(=O)OOC
InChIInChI=1S/C11H16N2O.C5H10O3/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14;1-3-4-5(6)8-7-2/h4-8,12H,1-3H3,(H,13,14);3-4H2,1-2H3
InChIKeyAIOMFCJZQOAGRV-UHFFFAOYSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43201157
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CID 103868306
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
CID 47292724
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
CID 60914306
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855

Frequently Asked Questions

What is the IUPAC name of methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide?
The IUPAC name of methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide (CID 174839459) is methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide?
The canonical SMILES for methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC(C)C)c1.CCCC(=O)OOC.
What is the InChIKey of methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide?
The InChIKey is AIOMFCJZQOAGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C5H10O3/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14;1-3-4-5(6)8-7-2/h4-8,12H,1-3H3,(H,13,14);3-4H2,1-2H3.
What are the key properties of methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide?
methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide has a molecular weight of 310.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 174839459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).