N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide

C21H26N2O2 — CID 86893526

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CCOc2ccccc21)C(C)C
InChIInChI=1S/C21H26N2O2/c1-15(2)23(19-10-6-4-8-16(19)3)14-21(24)22-18-12-13-25-20-11-7-5-9-17(18)20/h4-11,15,18H,12-14H2,1-3H3,(H,22,24)
InChIKeyZOKWDCFBVMAHOI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.85
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide (PubChem CID 86893526) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide
PubChem CID86893526
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CCOc2ccccc21)C(C)C
InChIInChI=1S/C21H26N2O2/c1-15(2)23(19-10-6-4-8-16(19)3)14-21(24)22-18-12-13-25-20-11-7-5-9-17(18)20/h4-11,15,18H,12-14H2,1-3H3,(H,22,24)
InChIKeyZOKWDCFBVMAHOI-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide (CID 86893526) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide is Cc1ccccc1N(CC(=O)NC1CCOc2ccccc21)C(C)C.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide?
The InChIKey is ZOKWDCFBVMAHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)23(19-10-6-4-8-16(19)3)14-21(24)22-18-12-13-25-20-11-7-5-9-17(18)20/h4-11,15,18H,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide is sourced from PubChem (CID 86893526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).