2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide

C16H25N3O2 — CID 116522197

IUPAC2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide
SMILESCC1(C)CCC(CN(CC(N)=O)Cc2ccc(N)cc2)O1
InChIInChI=1S/C16H25N3O2/c1-16(2)8-7-14(21-16)10-19(11-15(18)20)9-12-3-5-13(17)6-4-12/h3-6,14H,7-11,17H2,1-2H3,(H2,18,20)
InChIKeyPEGIGGUPHBLYIK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.51
Rot. Bonds6

About 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide

2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide (PubChem CID 116522197) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide
PubChem CID116522197
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide
SMILESCC1(C)CCC(CN(CC(N)=O)Cc2ccc(N)cc2)O1
InChIInChI=1S/C16H25N3O2/c1-16(2)8-7-14(21-16)10-19(11-15(18)20)9-12-3-5-13(17)6-4-12/h3-6,14H,7-11,17H2,1-2H3,(H2,18,20)
InChIKeyPEGIGGUPHBLYIK-UHFFFAOYSA-N
XLogP1.51
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide (CID 116522197) is 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide is CC1(C)CCC(CN(CC(N)=O)Cc2ccc(N)cc2)O1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide?
The InChIKey is PEGIGGUPHBLYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2)8-7-14(21-16)10-19(11-15(18)20)9-12-3-5-13(17)6-4-12/h3-6,14H,7-11,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide?
2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 116522197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).