N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

C28H39NO4 — CID 67710063

IUPACN-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCCCCCCCCN(C(=O)C1Cc2ccccc2C1)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C28H39NO4/c1-5-6-7-8-9-10-13-16-29(27-25(32-3)19-24(31-2)20-26(27)33-4)28(30)23-17-21-14-11-12-15-22(21)18-23/h11-12,14-15,19-20,23H,5-10,13,16-18H2,1-4H3
InChIKeyIHTRIBHWTRQUKI-UHFFFAOYSA-N
MW453.62 g/mol
LogP6.21
Rot. Bonds13

About N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 67710063) has the molecular formula C28H39NO4 and a molecular weight of 453.62 g/mol. Its IUPAC name is N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID67710063
Molecular FormulaC28H39NO4
Molecular Weight453.62 g/mol
Exact Mass453.29
IUPAC NameN-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCCCCCCCCN(C(=O)C1Cc2ccccc2C1)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C28H39NO4/c1-5-6-7-8-9-10-13-16-29(27-25(32-3)19-24(31-2)20-26(27)33-4)28(30)23-17-21-14-11-12-15-22(21)18-23/h11-12,14-15,19-20,23H,5-10,13,16-18H2,1-4H3
InChIKeyIHTRIBHWTRQUKI-UHFFFAOYSA-N
XLogP6.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.62
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 67710063) is N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is CCCCCCCCCN(C(=O)C1Cc2ccccc2C1)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is IHTRIBHWTRQUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO4/c1-5-6-7-8-9-10-13-16-29(27-25(32-3)19-24(31-2)20-26(27)33-4)28(30)23-17-21-14-11-12-15-22(21)18-23/h11-12,14-15,19-20,23H,5-10,13,16-18H2,1-4H3.
What are the key properties of N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 453.62 g/mol, XLogP of 6.21, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 67710063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).