N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide

C14H20N2O3 — CID 47412659

IUPACN-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)Nc1ccc(CNC(=O)COC(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)19-9-14(18)15-8-12-4-6-13(7-5-12)16-11(3)17/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWFABPEUDSPPPOJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide

N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 47412659) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
PubChem CID47412659
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)Nc1ccc(CNC(=O)COC(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)19-9-14(18)15-8-12-4-6-13(7-5-12)16-11(3)17/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWFABPEUDSPPPOJ-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
N-[[4-(bromomethyl)phenyl]methyl]-2-propan-2-yloxyacetamide
CID 107233774
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686762
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide (CID 47412659) is N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide is CC(=O)Nc1ccc(CNC(=O)COC(C)C)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is WFABPEUDSPPPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)19-9-14(18)15-8-12-4-6-13(7-5-12)16-11(3)17/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide?
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 264.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 47412659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).