N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide

C16H17N3O3 — CID 74237200

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H17N3O3/c20-15(10-19-7-3-6-17-16(19)21)18-9-12-8-13-4-1-2-5-14(13)22-11-12/h1-7,12H,8-11H2,(H,18,20)
InChIKeyYWTSPVXOIXATKK-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.61
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 74237200) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID74237200
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H17N3O3/c20-15(10-19-7-3-6-17-16(19)21)18-9-12-8-13-4-1-2-5-14(13)22-11-12/h1-7,12H,8-11H2,(H,18,20)
InChIKeyYWTSPVXOIXATKK-UHFFFAOYSA-N
XLogP0.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51266892
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 72897387
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97111941
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
2-(4,5-dimethylimidazol-1-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)acetamide
CID 72909617
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 97114800

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 74237200) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is YWTSPVXOIXATKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(10-19-7-3-6-17-16(19)21)18-9-12-8-13-4-1-2-5-14(13)22-11-12/h1-7,12H,8-11H2,(H,18,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 74237200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).