4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

C20H22N2O3 — CID 47014206

IUPAC4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCC(=O)NCCc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C20H22N2O3/c1-14(23)21-12-10-15-6-8-16(9-7-15)20(24)22-18-11-13-25-19-5-3-2-4-17(18)19/h2-9,18H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyFPQDOEBAVMFJPS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.62
Rot. Bonds5

About 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 47014206) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID47014206
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCC(=O)NCCc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C20H22N2O3/c1-14(23)21-12-10-15-6-8-16(9-7-15)20(24)22-18-11-13-25-19-5-3-2-4-17(18)19/h2-9,18H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyFPQDOEBAVMFJPS-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
4-(2-acetamidoethyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)benzamide
CID 47014219
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 46679708
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (CID 47014206) is 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is CC(=O)NCCc1ccc(C(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is FPQDOEBAVMFJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(23)21-12-10-15-6-8-16(9-7-15)20(24)22-18-11-13-25-19-5-3-2-4-17(18)19/h2-9,18H,10-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 47014206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).