N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide

C16H26N2O2 — CID 119526031

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-11-16(19)18-10-15(17)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyWLCGYYLEXOFYJN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide (PubChem CID 119526031) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide
PubChem CID119526031
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-11-16(19)18-10-15(17)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyWLCGYYLEXOFYJN-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
CID 119525765
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-(2-bromo-2-phenylethyl)-2-propoxyacetamide
CID 107941226
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pent-4-enamide;dihydrochloride
CID 119526644
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-(methylamino)propyl]-2-propoxyacetamide
CID 107938536
ethane;propyl 4-propan-2-ylbenzoate
CID 164925093

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide (CID 119526031) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide is CCCOCC(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide?
The InChIKey is WLCGYYLEXOFYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-9-20-11-16(19)18-10-15(17)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide is sourced from PubChem (CID 119526031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).