2-(4-butan-2-yloxyanilino)-N-ethylacetamide

C14H22N2O2 — CID 54830292

IUPAC2-(4-butan-2-yloxyanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(OC(C)CC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-11(3)18-13-8-6-12(7-9-13)16-10-14(17)15-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyKIEXLOQWJDYEOA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds7

About 2-(4-butan-2-yloxyanilino)-N-ethylacetamide

2-(4-butan-2-yloxyanilino)-N-ethylacetamide (PubChem CID 54830292) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-butan-2-yloxyanilino)-N-ethylacetamide
PubChem CID54830292
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(4-butan-2-yloxyanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(OC(C)CC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-11(3)18-13-8-6-12(7-9-13)16-10-14(17)15-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyKIEXLOQWJDYEOA-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54830298
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54830155
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
2-(4-butan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54830331
N-(4-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815837
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyanilino)-N-ethylacetamide?
The IUPAC name of 2-(4-butan-2-yloxyanilino)-N-ethylacetamide (CID 54830292) is 2-(4-butan-2-yloxyanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(4-butan-2-yloxyanilino)-N-ethylacetamide?
The canonical SMILES for 2-(4-butan-2-yloxyanilino)-N-ethylacetamide is CCNC(=O)CNc1ccc(OC(C)CC)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyanilino)-N-ethylacetamide?
The InChIKey is KIEXLOQWJDYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(3)18-13-8-6-12(7-9-13)16-10-14(17)15-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-butan-2-yloxyanilino)-N-ethylacetamide?
2-(4-butan-2-yloxyanilino)-N-ethylacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxyanilino)-N-ethylacetamide is sourced from PubChem (CID 54830292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).