2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

C16H25N3O2 — CID 21446226

IUPAC2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
SMILESCCC(C)OCC(=O)Nc1ccccc1/N=C(\C)N(C)C
InChIInChI=1S/C16H25N3O2/c1-6-12(2)21-11-16(20)18-15-10-8-7-9-14(15)17-13(3)19(4)5/h7-10,12H,6,11H2,1-5H3,(H,18,20)/b17-13+
InChIKeyXBFZPZLDRHJEHD-GHRIWEEISA-N
MW291.40 g/mol
LogP3.05
Rot. Bonds6

About 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide (PubChem CID 21446226) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide.

Molecular Properties

Compound Name2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
PubChem CID21446226
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
SMILESCCC(C)OCC(=O)Nc1ccccc1/N=C(\C)N(C)C
InChIInChI=1S/C16H25N3O2/c1-6-12(2)21-11-16(20)18-15-10-8-7-9-14(15)17-13(3)19(4)5/h7-10,12H,6,11H2,1-5H3,(H,18,20)/b17-13+
InChIKeyXBFZPZLDRHJEHD-GHRIWEEISA-N
XLogP3.05
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide
CID 21446224
2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
CID 54234843
2-[4-[(2-butan-2-yloxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 120522294
N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
CID 54943807
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N-(2-chlorophenyl)-2-[1-(methylamino)propan-2-yloxy]acetamide
CID 62336268
N-(2-iodophenyl)-2-propan-2-yloxyacetamide
CID 47416512
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001669
N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-3-methylbutanamide
CID 168602615
N-(butan-2-yloxymethyl)-N-phenylacetamide
CID 11117602
2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4959325
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The IUPAC name of 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide (CID 21446226) is 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide.
What is the SMILES notation for 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The canonical SMILES for 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide is CCC(C)OCC(=O)Nc1ccccc1/N=C(\C)N(C)C.
What is the InChIKey of 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The InChIKey is XBFZPZLDRHJEHD-GHRIWEEISA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-12(2)21-11-16(20)18-15-10-8-7-9-14(15)17-13(3)19(4)5/h7-10,12H,6,11H2,1-5H3,(H,18,20)/b17-13+.
What are the key properties of 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide is sourced from PubChem (CID 21446226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).