N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide

C23H22N4O3 — CID 163935274

IUPACN-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1ccc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c21
InChIInChI=1S/C23H22N4O3/c1-2-21(28)24-13-15-27-14-12-20-22(27)23(26-16-25-20)30-19-10-8-18(9-11-19)29-17-6-4-3-5-7-17/h3-12,14,16H,2,13,15H2,1H3,(H,24,28)
InChIKeyRMFQEFSKTNXYDC-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.54
Rot. Bonds8

About N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide

N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide (PubChem CID 163935274) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide
PubChem CID163935274
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1ccc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c21
InChIInChI=1S/C23H22N4O3/c1-2-21(28)24-13-15-27-14-12-20-22(27)23(26-16-25-20)30-19-10-8-18(9-11-19)29-17-6-4-3-5-7-17/h3-12,14,16H,2,13,15H2,1H3,(H,24,28)
InChIKeyRMFQEFSKTNXYDC-UHFFFAOYSA-N
XLogP4.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide?
The IUPAC name of N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide (CID 163935274) is N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide is CCC(=O)NCCn1ccc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c21.
What is the InChIKey of N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide?
The InChIKey is RMFQEFSKTNXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-21(28)24-13-15-27-14-12-20-22(27)23(26-16-25-20)30-19-10-8-18(9-11-19)29-17-6-4-3-5-7-17/h3-12,14,16H,2,13,15H2,1H3,(H,24,28).
What are the key properties of N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide?
N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide has a molecular weight of 402.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide is sourced from PubChem (CID 163935274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).