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

C21H25N3O5 — CID 53024152

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCn2cnc3oc(C)c(C)c3c2=O)cc1OC
InChIInChI=1S/C21H25N3O5/c1-13-14(2)29-20-19(13)21(26)24(12-23-20)10-8-18(25)22-9-7-15-5-6-16(27-3)17(11-15)28-4/h5-6,11-12H,7-10H2,1-4H3,(H,22,25)
InChIKeyHVIOXCXUANJRIZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.37
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 53024152) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID53024152
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCn2cnc3oc(C)c(C)c3c2=O)cc1OC
InChIInChI=1S/C21H25N3O5/c1-13-14(2)29-20-19(13)21(26)24(12-23-20)10-8-18(25)22-9-7-15-5-6-16(27-3)17(11-15)28-4/h5-6,11-12H,7-10H2,1-4H3,(H,22,25)
InChIKeyHVIOXCXUANJRIZ-UHFFFAOYSA-N
XLogP2.37
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 53024199
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 53024256
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 53024246
N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024146
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 19543667
N-(4-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024145
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
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
2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1194666

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide (CID 53024152) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide is COc1ccc(CCNC(=O)CCn2cnc3oc(C)c(C)c3c2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is HVIOXCXUANJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13-14(2)29-20-19(13)21(26)24(12-23-20)10-8-18(25)22-9-7-15-5-6-16(27-3)17(11-15)28-4/h5-6,11-12H,7-10H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 53024152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).