N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide

C19H19NO4 — CID 123563613

IUPACN-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)c1ccc(C(C)NC(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H19NO4/c1-12(15-4-6-16(7-5-15)13(2)21)20-19(22)10-14-3-8-17-18(9-14)24-11-23-17/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyPKTLUPYNOUAYNH-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide

N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 123563613) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide
PubChem CID123563613
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)c1ccc(C(C)NC(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H19NO4/c1-12(15-4-6-16(7-5-15)13(2)21)20-19(22)10-14-3-8-17-18(9-14)24-11-23-17/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyPKTLUPYNOUAYNH-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 7763941
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46451961
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28560327
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 8591573
3-(1,3-benzodioxol-5-yl)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]propanamide
CID 42948379
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348408
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 127567236

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide (CID 123563613) is N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide is CC(=O)c1ccc(C(C)NC(=O)Cc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is PKTLUPYNOUAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(15-4-6-16(7-5-15)13(2)21)20-19(22)10-14-3-8-17-18(9-14)24-11-23-17/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide?
N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 325.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 123563613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).