2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

C18H24N2O4 — CID 113166420

IUPAC2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)C1CCCCCC1
InChIInChI=1S/C18H24N2O4/c1-13(21)20(15-6-4-2-3-5-7-15)11-18(22)19-14-8-9-16-17(10-14)24-12-23-16/h8-10,15H,2-7,11-12H2,1H3,(H,19,22)
InChIKeyAXTGCKCMSXJJKW-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.93
Rot. Bonds4

About 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113166420) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113166420
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)C1CCCCCC1
InChIInChI=1S/C18H24N2O4/c1-13(21)20(15-6-4-2-3-5-7-15)11-18(22)19-14-8-9-16-17(10-14)24-12-23-16/h8-10,15H,2-7,11-12H2,1H3,(H,19,22)
InChIKeyAXTGCKCMSXJJKW-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 18127481
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166222
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 113166420) is 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)C1CCCCCC1.
What is the InChIKey of 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is AXTGCKCMSXJJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(21)20(15-6-4-2-3-5-7-15)11-18(22)19-14-8-9-16-17(10-14)24-12-23-16/h8-10,15H,2-7,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113166420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).