N,N-diethyl-2,2-dimethylchromene-5-carboxamide

C16H21NO2 — CID 15531141

IUPACN,N-diethyl-2,2-dimethylchromene-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1C=CC(C)(C)O2
InChIInChI=1S/C16H21NO2/c1-5-17(6-2)15(18)13-8-7-9-14-12(13)10-11-16(3,4)19-14/h7-11H,5-6H2,1-4H3
InChIKeyREWUDQSNEKIDCZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.35
Rot. Bonds3

About N,N-diethyl-2,2-dimethylchromene-5-carboxamide

N,N-diethyl-2,2-dimethylchromene-5-carboxamide (PubChem CID 15531141) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethylchromene-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethylchromene-5-carboxamide
PubChem CID15531141
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN,N-diethyl-2,2-dimethylchromene-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1C=CC(C)(C)O2
InChIInChI=1S/C16H21NO2/c1-5-17(6-2)15(18)13-8-7-9-14-12(13)10-11-16(3,4)19-14/h7-11H,5-6H2,1-4H3
InChIKeyREWUDQSNEKIDCZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-dimethylchromene-5-carboxamide?
The IUPAC name of N,N-diethyl-2,2-dimethylchromene-5-carboxamide (CID 15531141) is N,N-diethyl-2,2-dimethylchromene-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2,2-dimethylchromene-5-carboxamide?
The canonical SMILES for N,N-diethyl-2,2-dimethylchromene-5-carboxamide is CCN(CC)C(=O)c1cccc2c1C=CC(C)(C)O2.
What is the InChIKey of N,N-diethyl-2,2-dimethylchromene-5-carboxamide?
The InChIKey is REWUDQSNEKIDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-17(6-2)15(18)13-8-7-9-14-12(13)10-11-16(3,4)19-14/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,2-dimethylchromene-5-carboxamide?
N,N-diethyl-2,2-dimethylchromene-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethylchromene-5-carboxamide is sourced from PubChem (CID 15531141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).