2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

C16H21NO3 — CID 103849356

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCC1(O)CCOC1
InChIInChI=1S/C16H21NO3/c18-15(17-10-16(19)6-7-20-11-16)9-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,19H,1-3,6-7,9-11H2,(H,17,18)
InChIKeyDZOMCZQONILEEI-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.99
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (PubChem CID 103849356) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
PubChem CID103849356
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCC1(O)CCOC1
InChIInChI=1S/C16H21NO3/c18-15(17-10-16(19)6-7-20-11-16)9-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,19H,1-3,6-7,9-11H2,(H,17,18)
InChIKeyDZOMCZQONILEEI-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
1-(2,3-dihydro-1H-inden-5-yl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936269
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 71967541
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 126851273
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (CID 103849356) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is O=C(Cc1ccc2c(c1)CCC2)NCC1(O)CCOC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The InChIKey is DZOMCZQONILEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(17-10-16(19)6-7-20-11-16)9-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,19H,1-3,6-7,9-11H2,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 103849356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).