2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide

C16H19N3O2 — CID 71708966

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide
SMILESCC1(C)CCc2cc(CC(=O)Nc3ncc[nH]3)ccc2O1
InChIInChI=1S/C16H19N3O2/c1-16(2)6-5-12-9-11(3-4-13(12)21-16)10-14(20)19-15-17-7-8-18-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDKKONAURTNNQGZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.69
Rot. Bonds3

About 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide (PubChem CID 71708966) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide
PubChem CID71708966
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide
SMILESCC1(C)CCc2cc(CC(=O)Nc3ncc[nH]3)ccc2O1
InChIInChI=1S/C16H19N3O2/c1-16(2)6-5-12-9-11(3-4-13(12)21-16)10-14(20)19-15-17-7-8-18-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDKKONAURTNNQGZ-UHFFFAOYSA-N
XLogP2.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide (CID 71708966) is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide is CC1(C)CCc2cc(CC(=O)Nc3ncc[nH]3)ccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is DKKONAURTNNQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2)6-5-12-9-11(3-4-13(12)21-16)10-14(20)19-15-17-7-8-18-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide?
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 71708966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).