N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide

C16H24N2O2 — CID 113056581

IUPACN-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-13(19)18(16(2,3)4)11-10-17-15(20)12-14-8-6-5-7-9-14/h5-9H,10-12H2,1-4H3,(H,17,20)
InChIKeyLUXOHPCUASPTJE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds5

About N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide

N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide (PubChem CID 113056581) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
PubChem CID113056581
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-13(19)18(16(2,3)4)11-10-17-15(20)12-14-8-6-5-7-9-14/h5-9H,10-12H2,1-4H3,(H,17,20)
InChIKeyLUXOHPCUASPTJE-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056584
N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113056611
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
CID 113068029
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056601
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide (CID 113056581) is N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide is CC(=O)N(CCNC(=O)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide?
The InChIKey is LUXOHPCUASPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(19)18(16(2,3)4)11-10-17-15(20)12-14-8-6-5-7-9-14/h5-9H,10-12H2,1-4H3,(H,17,20).
What are the key properties of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide?
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 113056581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).