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

C17H28N2O2 — CID 119525929

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
SMILESCCCCOCC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-5-10-21-12-17(20)19-11-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,16H,4-5,10-12,18H2,1-3H3,(H,19,20)
InChIKeyPLXZRORKFJPIDU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.74
Rot. Bonds9

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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide (PubChem CID 119525929) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
PubChem CID119525929
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
SMILESCCCCOCC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-5-10-21-12-17(20)19-11-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,16H,4-5,10-12,18H2,1-3H3,(H,19,20)
InChIKeyPLXZRORKFJPIDU-UHFFFAOYSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.74
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-propoxyacetamide
CID 119526031
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
CID 119525765
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
CID 119527050
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 119527201
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide (CID 119525929) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide is CCCCOCC(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide?
The InChIKey is PLXZRORKFJPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-10-21-12-17(20)19-11-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,16H,4-5,10-12,18H2,1-3H3,(H,19,20).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.74, 9 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-butoxyacetamide is sourced from PubChem (CID 119525929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).