2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide

C20H23N3O4 — CID 53024051

IUPAC2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1cccc(OC)c1)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C20H23N3O4/c1-5-16(18(24)21-10-14-7-6-8-15(9-14)26-4)23-11-22-19-17(20(23)25)12(2)13(3)27-19/h6-9,11,16H,5,10H2,1-4H3,(H,21,24)
InChIKeyPPHDJYYCXXSCGK-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.88
Rot. Bonds6

About 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 53024051) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID53024051
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1cccc(OC)c1)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C20H23N3O4/c1-5-16(18(24)21-10-14-7-6-8-15(9-14)26-4)23-11-22-19-17(20(23)25)12(2)13(3)27-19/h6-9,11,16H,5,10H2,1-4H3,(H,21,24)
InChIKeyPPHDJYYCXXSCGK-UHFFFAOYSA-N
XLogP2.88
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 53054130
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742616
(2S)-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 95075170
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 53024256
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide (CID 53024051) is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide is CCC(C(=O)NCc1cccc(OC)c1)n1cnc2oc(C)c(C)c2c1=O.
What is the InChIKey of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is PPHDJYYCXXSCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-5-16(18(24)21-10-14-7-6-8-15(9-14)26-4)23-11-22-19-17(20(23)25)12(2)13(3)27-19/h6-9,11,16H,5,10H2,1-4H3,(H,21,24).
What are the key properties of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide has a molecular weight of 369.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 53024051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).