[2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate

C23H27NO3 — CID 144517198

IUPAC[2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OC1c2ccccc2CC1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H27NO3/c1-15(2)7-12-21(25)27-22-19(14-18-5-3-4-6-20(18)22)13-16-8-10-17(11-9-16)23(24)26/h3-6,8-11,15,19,22H,7,12-14H2,1-2H3,(H2,24,26)
InChIKeyMAZIXSSFKGIGDP-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.22
Rot. Bonds7

About [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate

[2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate (PubChem CID 144517198) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate.

Molecular Properties

Compound Name[2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate
PubChem CID144517198
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OC1c2ccccc2CC1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H27NO3/c1-15(2)7-12-21(25)27-22-19(14-18-5-3-4-6-20(18)22)13-16-8-10-17(11-9-16)23(24)26/h3-6,8-11,15,19,22H,7,12-14H2,1-2H3,(H2,24,26)
InChIKeyMAZIXSSFKGIGDP-UHFFFAOYSA-N
XLogP4.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate?
The IUPAC name of [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate (CID 144517198) is [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate.
What is the SMILES notation for [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate?
The canonical SMILES for [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate is CC(C)CCC(=O)OC1c2ccccc2CC1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate?
The InChIKey is MAZIXSSFKGIGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15(2)7-12-21(25)27-22-19(14-18-5-3-4-6-20(18)22)13-16-8-10-17(11-9-16)23(24)26/h3-6,8-11,15,19,22H,7,12-14H2,1-2H3,(H2,24,26).
What are the key properties of [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate?
[2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate has a molecular weight of 365.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-carbamoylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 4-methylpentanoate is sourced from PubChem (CID 144517198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).