N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide

C24H35NO4 — CID 10069642

IUPACN-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c(=O)ccoc12
InChIInChI=1S/C24H35NO4/c1-5-6-7-8-9-10-11-12-16-24(2,3)23(27)25-21-20(28-4)14-13-18-19(26)15-17-29-22(18)21/h13-15,17H,5-12,16H2,1-4H3,(H,25,27)
InChIKeyWBJBFHGKIINNGU-UHFFFAOYSA-N
MW401.55 g/mol
LogP6.30
Rot. Bonds12

About N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide

N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide (PubChem CID 10069642) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide
PubChem CID10069642
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC NameN-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c(=O)ccoc12
InChIInChI=1S/C24H35NO4/c1-5-6-7-8-9-10-11-12-16-24(2,3)23(27)25-21-20(28-4)14-13-18-19(26)15-17-29-22(18)21/h13-15,17H,5-12,16H2,1-4H3,(H,25,27)
InChIKeyWBJBFHGKIINNGU-UHFFFAOYSA-N
XLogP6.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(7-Methoxy-4-chromanon-8-yl)-2,2-dimethyldodecanamide
CID 9953017
N-(7-decoxy-4-oxochromen-8-yl)-2,2-dimethylpropanamide
CID 10001118
N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-4-[6-(2-methylpropoxy)hexoxy]benzamide
CID 10004878
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyldodecanamide
CID 10075673
2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
CID 10320108
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide
CID 10363810
8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide
CID 10393792
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide
CID 10428676
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]propanamide
CID 118060425
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 118060721
2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 118060799
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 118060843

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
The IUPAC name of N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide (CID 10069642) is N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide.
What is the SMILES notation for N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
The canonical SMILES for N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c(=O)ccoc12.
What is the InChIKey of N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
The InChIKey is WBJBFHGKIINNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO4/c1-5-6-7-8-9-10-11-12-16-24(2,3)23(27)25-21-20(28-4)14-13-18-19(26)15-17-29-22(18)21/h13-15,17H,5-12,16H2,1-4H3,(H,25,27).
What are the key properties of N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide has a molecular weight of 401.55 g/mol, XLogP of 6.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide is sourced from PubChem (CID 10069642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).