2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide

C22H21N3O4 — CID 8927965

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C22H21N3O4/c26-20(23-18-11-13-29-19-9-5-4-8-17(18)19)15-25-21(27)10-12-24(22(25)28)14-16-6-2-1-3-7-16/h1-10,12,18H,11,13-15H2,(H,23,26)/t18-/m1/s1
InChIKeyKFOSYFITJKFZCQ-GOSISDBHSA-N
MW391.43 g/mol
LogP1.70
Rot. Bonds5

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 8927965) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID8927965
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C22H21N3O4/c26-20(23-18-11-13-29-19-9-5-4-8-17(18)19)15-25-21(27)10-12-24(22(25)28)14-16-6-2-1-3-7-16/h1-10,12,18H,11,13-15H2,(H,23,26)/t18-/m1/s1
InChIKeyKFOSYFITJKFZCQ-GOSISDBHSA-N
XLogP1.70
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 42897100
2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17394281
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18193012
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide
CID 52538400
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide
CID 95630096

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 8927965) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is KFOSYFITJKFZCQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-20(23-18-11-13-29-19-9-5-4-8-17(18)19)15-25-21(27)10-12-24(22(25)28)14-16-6-2-1-3-7-16/h1-10,12,18H,11,13-15H2,(H,23,26)/t18-/m1/s1.
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 8927965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).