N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide

C16H23NO2 — CID 10999838

IUPACN,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)OC(C)(C)CC2
InChIInChI=1S/C16H23NO2/c1-5-17(6-2)15(18)13-8-7-12-9-10-16(3,4)19-14(12)11-13/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeySSQGHMYLHCEWTL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.27
Rot. Bonds3

About N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide

N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide (PubChem CID 10999838) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
PubChem CID10999838
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)OC(C)(C)CC2
InChIInChI=1S/C16H23NO2/c1-5-17(6-2)15(18)13-8-7-12-9-10-16(3,4)19-14(12)11-13/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeySSQGHMYLHCEWTL-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-9H-xanthene-3-carboxamide
CID 69349327
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propanoic acid
CID 117376382
[(E)-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)-(1,2,4-triazol-1-yl)methylidene]amino] acetate
CID 139753997
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
CID 117339343
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
CID 84696853
7-(1-isocyanatocyclopropyl)-2,2-dimethyl-3,4-dihydrochromene
CID 117360106
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate
CID 89221071
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363545
N,N-diethylphenanthrene-2-carboxamide
CID 15466572

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The IUPAC name of N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide (CID 10999838) is N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide.
What is the SMILES notation for N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The canonical SMILES for N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)OC(C)(C)CC2.
What is the InChIKey of N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The InChIKey is SSQGHMYLHCEWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-17(6-2)15(18)13-8-7-12-9-10-16(3,4)19-14(12)11-13/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.27, 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-dimethyl-3,4-dihydrochromene-7-carboxamide is sourced from PubChem (CID 10999838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).