2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

C21H29NO3 — CID 91769007

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C21H29NO3/c23-21(13-15-11-17-3-1-2-4-18(17)12-15)22-20-7-10-25-14-19(20)16-5-8-24-9-6-16/h1-4,15-16,19-20H,5-14H2,(H,22,23)/t19-,20-/m0/s1
InChIKeyNAEMGNDXXAMBQW-PMACEKPBSA-N
MW343.47 g/mol
LogP2.74
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (PubChem CID 91769007) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
PubChem CID91769007
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C21H29NO3/c23-21(13-15-11-17-3-1-2-4-18(17)12-15)22-20-7-10-25-14-19(20)16-5-8-24-9-6-16/h1-4,15-16,19-20H,5-14H2,(H,22,23)/t19-,20-/m0/s1
InChIKeyNAEMGNDXXAMBQW-PMACEKPBSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (CID 91769007) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is O=C(CC1Cc2ccccc2C1)N[C@H]1CCOC[C@H]1C1CCOCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The InChIKey is NAEMGNDXXAMBQW-PMACEKPBSA-N. The full InChI is InChI=1S/C21H29NO3/c23-21(13-15-11-17-3-1-2-4-18(17)12-15)22-20-7-10-25-14-19(20)16-5-8-24-9-6-16/h1-4,15-16,19-20H,5-14H2,(H,22,23)/t19-,20-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.74, 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-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 91769007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).