N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C23H40N4O10 — CID 172680677

IUPACN-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCCOCCOC[C@H]1OC[C@@H](Nc2cc(OC)nc(OC)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C23H40N4O10/c1-4-19(28)24-5-6-33-7-8-34-9-10-35-11-12-36-15-17-22(30)21(29)16(14-37-17)25-18-13-20(31-2)27-23(26-18)32-3/h13,16-17,21-22,29-30H,4-12,14-15H2,1-3H3,(H,24,28)(H,25,26,27)/t16-,17-,21-,22+/m1/s1
InChIKeyAIUUMPBFJROFBL-ZYOFANERSA-N
MW532.59 g/mol
LogP-1.01
Rot. Bonds19

About N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 172680677) has the molecular formula C23H40N4O10 and a molecular weight of 532.59 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID172680677
Molecular FormulaC23H40N4O10
Molecular Weight532.59 g/mol
Exact Mass532.27
IUPAC NameN-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCCOCCOC[C@H]1OC[C@@H](Nc2cc(OC)nc(OC)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C23H40N4O10/c1-4-19(28)24-5-6-33-7-8-34-9-10-35-11-12-36-15-17-22(30)21(29)16(14-37-17)25-18-13-20(31-2)27-23(26-18)32-3/h13,16-17,21-22,29-30H,4-12,14-15H2,1-3H3,(H,24,28)(H,25,26,27)/t16-,17-,21-,22+/m1/s1
InChIKeyAIUUMPBFJROFBL-ZYOFANERSA-N
XLogP-1.01
TPSA171.98 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 172680677) is N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCC(=O)NCCOCCOCCOCCOC[C@H]1OC[C@@H](Nc2cc(OC)nc(OC)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is AIUUMPBFJROFBL-ZYOFANERSA-N. The full InChI is InChI=1S/C23H40N4O10/c1-4-19(28)24-5-6-33-7-8-34-9-10-35-11-12-36-15-17-22(30)21(29)16(14-37-17)25-18-13-20(31-2)27-23(26-18)32-3/h13,16-17,21-22,29-30H,4-12,14-15H2,1-3H3,(H,24,28)(H,25,26,27)/t16-,17-,21-,22+/m1/s1.
What are the key properties of N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 532.59 g/mol, XLogP of -1.01, 19 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[[(2R,3R,4R,5R)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-3,4-dihydroxyoxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 172680677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).