N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide

C23H31NO3 — CID 24860434

IUPACN-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NC3CCCCCCCCCCC3)cc2c1
InChIInChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)
InChIKeyVWQOVCCGOGWSCR-UHFFFAOYSA-N
MW369.50 g/mol
LogP5.50
Rot. Bonds2

About N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide

N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide (PubChem CID 24860434) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide
PubChem CID24860434
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC NameN-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NC3CCCCCCCCCCC3)cc2c1
InChIInChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)
InChIKeyVWQOVCCGOGWSCR-UHFFFAOYSA-N
XLogP5.50
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide (CID 24860434) is N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide is Cc1ccc2oc(=O)c(C(=O)NC3CCCCCCCCCCC3)cc2c1.
What is the InChIKey of N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide?
The InChIKey is VWQOVCCGOGWSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25).
What are the key properties of N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide?
N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide has a molecular weight of 369.50 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-6-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 24860434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).