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

C18H19NO3 — CID 110751539

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC1COc2ccccc2C1
InChIInChI=1S/C18H19NO3/c1-13-6-2-4-8-16(13)22-12-18(20)19-15-10-14-7-3-5-9-17(14)21-11-15/h2-9,15H,10-12H2,1H3,(H,19,20)
InChIKeySYYSIVNJRVGODJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.49
Rot. Bonds4

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

N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 110751539) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
PubChem CID110751539
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC1COc2ccccc2C1
InChIInChI=1S/C18H19NO3/c1-13-6-2-4-8-16(13)22-12-18(20)19-15-10-14-7-3-5-9-17(14)21-11-15/h2-9,15H,10-12H2,1H3,(H,19,20)
InChIKeySYYSIVNJRVGODJ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
CID 97233703
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 94466660
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide
CID 154820695
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methylphenoxy)acetamide;formic acid
CID 163341407

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide (CID 110751539) is N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is SYYSIVNJRVGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-6-2-4-8-16(13)22-12-18(20)19-15-10-14-7-3-5-9-17(14)21-11-15/h2-9,15H,10-12H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide?
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 297.35 g/mol, XLogP of 2.49, 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-3-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 110751539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).