N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide

C17H24N2O3 — CID 9265362

IUPACN-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
SMILESO=C(CNC1CCCCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H24N2O3/c20-17(11-18-13-6-4-2-1-3-5-7-13)19-14-8-9-15-16(10-14)22-12-21-15/h8-10,13,18H,1-7,11-12H2,(H,19,20)
InChIKeyLHJAISIRLYFZQT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.06
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide (PubChem CID 9265362) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
PubChem CID9265362
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
SMILESO=C(CNC1CCCCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H24N2O3/c20-17(11-18-13-6-4-2-1-3-5-7-13)19-14-8-9-15-16(10-14)22-12-21-15/h8-10,13,18H,1-7,11-12H2,(H,19,20)
InChIKeyLHJAISIRLYFZQT-UHFFFAOYSA-N
XLogP3.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
N'-cyclopentyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]oxamide
CID 17412060
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide (CID 9265362) is N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide is O=C(CNC1CCCCCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide?
The InChIKey is LHJAISIRLYFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(11-18-13-6-4-2-1-3-5-7-13)19-14-8-9-15-16(10-14)22-12-21-15/h8-10,13,18H,1-7,11-12H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide is sourced from PubChem (CID 9265362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).