CID 177421590

C31H50N4O8 — CID 177421590

IUPAC—
SMILESCC(=O)N1CCC2(CC1)CC1(CC(C)(C)N2[O])OCC2(CO1)COC1(CC(C)(C)N([O])C3(CCN(C(C)=O)CC3)C1)OC2
InChIInChI=1S/C31H50N4O8/c1-23(36)32-11-7-28(8-12-32)17-30(15-25(3,4)34(28)38)40-19-27(20-41-30)21-42-31(43-22-27)16-26(5,6)35(39)29(18-31)9-13-33(14-10-29)24(2)37/h7-22H2,1-6H3
InChIKeyPRWDEPGLPVVTOA-UHFFFAOYSA-N
MW606.76 g/mol
LogP2.66
Rot. Bonds

About CID 177421590

CID 177421590 (PubChem CID 177421590) has the molecular formula C31H50N4O8 and a molecular weight of 606.76 g/mol.

Molecular Properties

Compound NameCID 177421590
PubChem CID177421590
Molecular FormulaC31H50N4O8
Molecular Weight606.76 g/mol
Exact Mass606.36
IUPAC Name—
SMILESCC(=O)N1CCC2(CC1)CC1(CC(C)(C)N2[O])OCC2(CO1)COC1(CC(C)(C)N([O])C3(CCN(C(C)=O)CC3)C1)OC2
InChIInChI=1S/C31H50N4O8/c1-23(36)32-11-7-28(8-12-32)17-30(15-25(3,4)34(28)38)40-19-27(20-41-30)21-42-31(43-22-27)16-26(5,6)35(39)29(18-31)9-13-33(14-10-29)24(2)37/h7-22H2,1-6H3
InChIKeyPRWDEPGLPVVTOA-UHFFFAOYSA-N
XLogP2.66
TPSA123.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.76
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 177421590?
The IUPAC name of CID 177421590 (CID 177421590) is not available.
What is the SMILES notation for CID 177421590?
The canonical SMILES for CID 177421590 is CC(=O)N1CCC2(CC1)CC1(CC(C)(C)N2[O])OCC2(CO1)COC1(CC(C)(C)N([O])C3(CCN(C(C)=O)CC3)C1)OC2.
What is the InChIKey of CID 177421590?
The InChIKey is PRWDEPGLPVVTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50N4O8/c1-23(36)32-11-7-28(8-12-32)17-30(15-25(3,4)34(28)38)40-19-27(20-41-30)21-42-31(43-22-27)16-26(5,6)35(39)29(18-31)9-13-33(14-10-29)24(2)37/h7-22H2,1-6H3.
What are the key properties of CID 177421590?
CID 177421590 has a molecular weight of 606.76 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177421590 is sourced from PubChem (CID 177421590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).