N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide

C17H27NO3 — CID 60546063

IUPACN-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCOC(C)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H27NO3/c1-6-20-11-12-21-13(2)16(19)18-15-10-8-7-9-14(15)17(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,18,19)
InChIKeyYLOVNBFUQJYMLE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.36
Rot. Bonds7

About N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide

N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide (PubChem CID 60546063) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
PubChem CID60546063
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCOC(C)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H27NO3/c1-6-20-11-12-21-13(2)16(19)18-15-10-8-7-9-14(15)17(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,18,19)
InChIKeyYLOVNBFUQJYMLE-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-2-(methoxymethoxy)propanamide
CID 73080335
(2R)-2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenyl)-2-methylpropyl]propanamide
CID 95021294
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
(2R)-N-(3-acetamido-2-pyridinyl)-2-(2-ethoxyethoxy)propanamide
CID 97352364
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 47078303
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide (CID 60546063) is N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide is CCOCCOC(C)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide?
The InChIKey is YLOVNBFUQJYMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-20-11-12-21-13(2)16(19)18-15-10-8-7-9-14(15)17(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,18,19).
What are the key properties of N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide?
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide has a molecular weight of 293.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide is sourced from PubChem (CID 60546063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).