N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide

C16H26N2O — CID 115158005

IUPACN-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-17-12-15(19)18-11-10-13-6-8-14(9-7-13)16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyZXXCQDLVBTXQKX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide

N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide (PubChem CID 115158005) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
PubChem CID115158005
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-17-12-15(19)18-11-10-13-6-8-14(9-7-13)16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyZXXCQDLVBTXQKX-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 115158053
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 87037217
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
CID 118398481
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46433649
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-[2-(4-tert-butylphenyl)ethyl]-2-(dimethylsulfamoyl)acetamide
CID 86788485
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119706734

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide (CID 115158005) is N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide is CCNCC(=O)NCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide?
The InChIKey is ZXXCQDLVBTXQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-17-12-15(19)18-11-10-13-6-8-14(9-7-13)16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide?
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide is sourced from PubChem (CID 115158005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).