N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C22H29N3O5 — CID 53209506

IUPACN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12
InChIInChI=1S/C22H29N3O5/c1-5-28-10-7-9-24(13-17-8-6-11-29-17)21(26)18-16(4)30-20-19(18)22(27)25(14-23-20)12-15(2)3/h6,8,11,14-15H,5,7,9-10,12-13H2,1-4H3
InChIKeyQWVMAMNONRJDKS-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.62
Rot. Bonds10

About N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209506) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209506
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12
InChIInChI=1S/C22H29N3O5/c1-5-28-10-7-9-24(13-17-8-6-11-29-17)21(26)18-16(4)30-20-19(18)22(27)25(14-23-20)12-15(2)3/h6,8,11,14-15H,5,7,9-10,12-13H2,1-4H3
InChIKeyQWVMAMNONRJDKS-UHFFFAOYSA-N
XLogP3.62
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 53209506) is N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is CCOCCCN(Cc1ccco1)C(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12.
What is the InChIKey of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QWVMAMNONRJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-5-28-10-7-9-24(13-17-8-6-11-29-17)21(26)18-16(4)30-20-19(18)22(27)25(14-23-20)12-15(2)3/h6,8,11,14-15H,5,7,9-10,12-13H2,1-4H3.
What are the key properties of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).