2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide

C16H21NO3 — CID 91828550

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)NCC1COCCO1
InChIInChI=1S/C16H21NO3/c18-16(17-10-15-11-19-5-6-20-15)9-12-7-13-3-1-2-4-14(13)8-12/h1-4,12,15H,5-11H2,(H,17,18)
InChIKeyDBAQVUMOOVRLQU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.32
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide (PubChem CID 91828550) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide
PubChem CID91828550
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)NCC1COCCO1
InChIInChI=1S/C16H21NO3/c18-16(17-10-15-11-19-5-6-20-15)9-12-7-13-3-1-2-4-14(13)8-12/h1-4,12,15H,5-11H2,(H,17,18)
InChIKeyDBAQVUMOOVRLQU-UHFFFAOYSA-N
XLogP1.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
2-(3-aminophenyl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 55083536
2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 61023833
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 71936152
N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 125481439
5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
CID 61023561
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
CID 64676747
5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
CID 61023950
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide (CID 91828550) is 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide is O=C(CC1Cc2ccccc2C1)NCC1COCCO1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide?
The InChIKey is DBAQVUMOOVRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(17-10-15-11-19-5-6-20-15)9-12-7-13-3-1-2-4-14(13)8-12/h1-4,12,15H,5-11H2,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide is sourced from PubChem (CID 91828550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).