N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide

C18H18ClN3O3 — CID 53024146

IUPACN-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCn1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C18H18ClN3O3/c1-10-4-5-13(19)8-14(10)21-15(23)6-7-22-9-20-17-16(18(22)24)11(2)12(3)25-17/h4-5,8-9H,6-7H2,1-3H3,(H,21,23)
InChIKeyPCJIHEOXADWDCE-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.60
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide

N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 53024146) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID53024146
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCn1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C18H18ClN3O3/c1-10-4-5-13(19)8-14(10)21-15(23)6-7-22-9-20-17-16(18(22)24)11(2)12(3)25-17/h4-5,8-9H,6-7H2,1-3H3,(H,21,23)
InChIKeyPCJIHEOXADWDCE-UHFFFAOYSA-N
XLogP3.60
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024145
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 53024200
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53024132
N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide
CID 53024029
N-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 6494626
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 53024256
N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 22581179
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 53024246
N-(4-chloro-2-fluorophenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46280000
5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one
CID 53004435
N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890247
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide (CID 53024146) is N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCn1cnc2oc(C)c(C)c2c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is PCJIHEOXADWDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-10-4-5-13(19)8-14(10)21-15(23)6-7-22-9-20-17-16(18(22)24)11(2)12(3)25-17/h4-5,8-9H,6-7H2,1-3H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 359.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 53024146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).