N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid

C25H38N4O7S — CID 67898460

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid
SMILESCC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C.O=S(=O)(O)O.c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C14H27N3O2.C11H9NO.H2O4S/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19;1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;1-5(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,18);1-9H;(H2,1,2,3,4)
InChIKeyOMNNMJJFILPGSA-UHFFFAOYSA-N
MW538.67 g/mol
LogP3.06
Rot. Bonds9

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid (PubChem CID 67898460) has the molecular formula C25H38N4O7S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid
PubChem CID67898460
Molecular FormulaC25H38N4O7S
Molecular Weight538.67 g/mol
Exact Mass538.25
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid
SMILESCC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C.O=S(=O)(O)O.c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C14H27N3O2.C11H9NO.H2O4S/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19;1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;1-5(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,18);1-9H;(H2,1,2,3,4)
InChIKeyOMNNMJJFILPGSA-UHFFFAOYSA-N
XLogP3.06
TPSA149.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid (CID 67898460) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid is CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C.O=S(=O)(O)O.c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid?
The InChIKey is OMNNMJJFILPGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.C11H9NO.H2O4S/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19;1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;1-5(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,18);1-9H;(H2,1,2,3,4).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid has a molecular weight of 538.67 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid is sourced from PubChem (CID 67898460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).