N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide

C21H31NO4 — CID 10428676

IUPACN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(C)=O)OCCC2=O
InChIInChI=1S/C21H31NO4/c1-3-4-5-6-7-8-9-10-14-25-19-12-11-17-18(24)13-15-26-21(17)20(19)22-16(2)23/h11-12H,3-10,13-15H2,1-2H3,(H,22,23)
InChIKeyCPFIEPYRKAOQHL-UHFFFAOYSA-N
MW361.48 g/mol
LogP5.13
Rot. Bonds11

About N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide

N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide (PubChem CID 10428676) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide.

Molecular Properties

Compound NameN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide
PubChem CID10428676
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC NameN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(C)=O)OCCC2=O
InChIInChI=1S/C21H31NO4/c1-3-4-5-6-7-8-9-10-14-25-19-12-11-17-18(24)13-15-26-21(17)20(19)22-16(2)23/h11-12H,3-10,13-15H2,1-2H3,(H,22,23)
InChIKeyCPFIEPYRKAOQHL-UHFFFAOYSA-N
XLogP5.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.48
LogP ≤ 55.13
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-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide?
The IUPAC name of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide (CID 10428676) is N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide.
What is the SMILES notation for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide?
The canonical SMILES for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide is CCCCCCCCCCOc1ccc2c(c1NC(C)=O)OCCC2=O.
What is the InChIKey of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide?
The InChIKey is CPFIEPYRKAOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4/c1-3-4-5-6-7-8-9-10-14-25-19-12-11-17-18(24)13-15-26-21(17)20(19)22-16(2)23/h11-12H,3-10,13-15H2,1-2H3,(H,22,23).
What are the key properties of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide?
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide has a molecular weight of 361.48 g/mol, XLogP of 5.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide is sourced from PubChem (CID 10428676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).