N-(2-butoxyphenyl)-3-methylbutanamide

C15H23NO2 — CID 19204184

IUPACN-(2-butoxyphenyl)-3-methylbutanamide
SMILESCCCCOc1ccccc1NC(=O)CC(C)C
InChIInChI=1S/C15H23NO2/c1-4-5-10-18-14-9-7-6-8-13(14)16-15(17)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeySOFNPCIEZCPIPU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.85
Rot. Bonds7

About N-(2-butoxyphenyl)-3-methylbutanamide

N-(2-butoxyphenyl)-3-methylbutanamide (PubChem CID 19204184) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-3-methylbutanamide
PubChem CID19204184
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2-butoxyphenyl)-3-methylbutanamide
SMILESCCCCOc1ccccc1NC(=O)CC(C)C
InChIInChI=1S/C15H23NO2/c1-4-5-10-18-14-9-7-6-8-13(14)16-15(17)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeySOFNPCIEZCPIPU-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
N-(2-butoxyphenyl)propanamide
CID 15943029
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-butoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817835
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823404
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
(2S)-2-(2-butoxyanilino)propanoic acid
CID 67688894

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(2-butoxyphenyl)-3-methylbutanamide (CID 19204184) is N-(2-butoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-butoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(2-butoxyphenyl)-3-methylbutanamide is CCCCOc1ccccc1NC(=O)CC(C)C.
What is the InChIKey of N-(2-butoxyphenyl)-3-methylbutanamide?
The InChIKey is SOFNPCIEZCPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-10-18-14-9-7-6-8-13(14)16-15(17)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-butoxyphenyl)-3-methylbutanamide?
N-(2-butoxyphenyl)-3-methylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 19204184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).