N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide

C26H41NO4 — CID 10071419

IUPACN-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide
SMILESCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2=O
InChIInChI=1S/C26H41NO4/c1-5-6-7-8-9-10-11-12-13-14-18-26(2,3)25(29)27-23-22(30-4)16-15-20-21(28)17-19-31-24(20)23/h15-16H,5-14,17-19H2,1-4H3,(H,27,29)
InChIKeyKNVXJBPNSDTMNY-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.94
Rot. Bonds14

About N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide

N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide (PubChem CID 10071419) has the molecular formula C26H41NO4 and a molecular weight of 431.62 g/mol. Its IUPAC name is N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide.

Molecular Properties

Compound NameN-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide
PubChem CID10071419
Molecular FormulaC26H41NO4
Molecular Weight431.62 g/mol
Exact Mass431.30
IUPAC NameN-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide
SMILESCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2=O
InChIInChI=1S/C26H41NO4/c1-5-6-7-8-9-10-11-12-13-14-18-26(2,3)25(29)27-23-22(30-4)16-15-20-21(28)17-19-31-24(20)23/h15-16H,5-14,17-19H2,1-4H3,(H,27,29)
InChIKeyKNVXJBPNSDTMNY-UHFFFAOYSA-N
XLogP6.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.94
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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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide?
The IUPAC name of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide (CID 10071419) is N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide.
What is the SMILES notation for N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide?
The canonical SMILES for N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide is CCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2=O.
What is the InChIKey of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide?
The InChIKey is KNVXJBPNSDTMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO4/c1-5-6-7-8-9-10-11-12-13-14-18-26(2,3)25(29)27-23-22(30-4)16-15-20-21(28)17-19-31-24(20)23/h15-16H,5-14,17-19H2,1-4H3,(H,27,29).
What are the key properties of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide?
N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide has a molecular weight of 431.62 g/mol, XLogP of 6.94, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyltetradecanamide is sourced from PubChem (CID 10071419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).