N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide

C18H19NO3 — CID 110866955

IUPACN-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H19NO3/c1-13-7-9-15(10-8-13)22-12-17(20)19-16-6-2-4-14-5-3-11-21-18(14)16/h2,4,6-10H,3,5,11-12H2,1H3,(H,19,20)
InChIKeyWIQLWPMOWWJVPL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.34
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide

N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 110866955) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide
PubChem CID110866955
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H19NO3/c1-13-7-9-15(10-8-13)22-12-17(20)19-16-6-2-4-14-5-3-11-21-18(14)16/h2,4,6-10H,3,5,11-12H2,1H3,(H,19,20)
InChIKeyWIQLWPMOWWJVPL-UHFFFAOYSA-N
XLogP3.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-[[2-(4-methylphenoxy)acetyl]amino]benzenethiolate
CID 135820587
2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1122227
N-(3-chloro-2-fluorophenyl)-2-(4-methylphenoxy)acetamide
CID 31507595
N-[2-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 39130421
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2,2,2-trifluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 108933509
2-(4-methylphenoxy)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 17297229
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 823681
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide (CID 110866955) is N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccc3c2OCCC3)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is WIQLWPMOWWJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-9-15(10-8-13)22-12-17(20)19-16-6-2-4-14-5-3-11-21-18(14)16/h2,4,6-10H,3,5,11-12H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide?
N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.34, 4 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-8-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110866955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).