4-(4-tert-butylphenoxy)-N-pentylbutanamide

C19H31NO2 — CID 19173675

IUPAC4-(4-tert-butylphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-5-6-7-14-20-18(21)9-8-15-22-17-12-10-16(11-13-17)19(2,3)4/h10-13H,5-9,14-15H2,1-4H3,(H,20,21)
InChIKeyLBMSRMOZPVNFAE-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.45
Rot. Bonds9

About 4-(4-tert-butylphenoxy)-N-pentylbutanamide

4-(4-tert-butylphenoxy)-N-pentylbutanamide (PubChem CID 19173675) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-pentylbutanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-pentylbutanamide
PubChem CID19173675
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-(4-tert-butylphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-5-6-7-14-20-18(21)9-8-15-22-17-12-10-16(11-13-17)19(2,3)4/h10-13H,5-9,14-15H2,1-4H3,(H,20,21)
InChIKeyLBMSRMOZPVNFAE-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.45
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

methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
4-(2-bromo-4-tert-butylphenoxy)-N-pentylbutanamide
CID 19201307
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175
4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide
CID 97247433

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-pentylbutanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-pentylbutanamide (CID 19173675) is 4-(4-tert-butylphenoxy)-N-pentylbutanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-pentylbutanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-pentylbutanamide is CCCCCNC(=O)CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-pentylbutanamide?
The InChIKey is LBMSRMOZPVNFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-6-7-14-20-18(21)9-8-15-22-17-12-10-16(11-13-17)19(2,3)4/h10-13H,5-9,14-15H2,1-4H3,(H,20,21).
What are the key properties of 4-(4-tert-butylphenoxy)-N-pentylbutanamide?
4-(4-tert-butylphenoxy)-N-pentylbutanamide has a molecular weight of 305.46 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-pentylbutanamide is sourced from PubChem (CID 19173675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).