N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide

C14H22N2O2 — CID 107529384

IUPACN-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
SMILESCCC(C)Oc1cccc(NCCNC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(2)18-14-7-5-6-13(10-14)16-9-8-15-12(3)17/h5-7,10-11,16H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyFISZHAHZCOMVIT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide

N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide (PubChem CID 107529384) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
PubChem CID107529384
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
SMILESCCC(C)Oc1cccc(NCCNC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(2)18-14-7-5-6-13(10-14)16-9-8-15-12(3)17/h5-7,10-11,16H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyFISZHAHZCOMVIT-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
N-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide (CID 107529384) is N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide is CCC(C)Oc1cccc(NCCNC(C)=O)c1.
What is the InChIKey of N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide?
The InChIKey is FISZHAHZCOMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(2)18-14-7-5-6-13(10-14)16-9-8-15-12(3)17/h5-7,10-11,16H,4,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide?
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide 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 N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide is sourced from PubChem (CID 107529384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).