CID 59919929

C17H31N2O4 — CID 59919929

IUPAC—
SMILESCCC1(C)CC(=O)N(C(=O)OC(C)(C)C)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C17H31N2O4/c1-9-16(7)11-13(20)18(14(21)23-15(4,5)6)12(3)17(8,10-2)19(16)22/h12H,9-11H2,1-8H3
InChIKeyCJKYKIXKQPQLKR-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.53
Rot. Bonds2

About CID 59919929

CID 59919929 (PubChem CID 59919929) has the molecular formula C17H31N2O4 and a molecular weight of 327.45 g/mol.

Molecular Properties

Compound NameCID 59919929
PubChem CID59919929
Molecular FormulaC17H31N2O4
Molecular Weight327.45 g/mol
Exact Mass327.23
IUPAC Name—
SMILESCCC1(C)CC(=O)N(C(=O)OC(C)(C)C)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C17H31N2O4/c1-9-16(7)11-13(20)18(14(21)23-15(4,5)6)12(3)17(8,10-2)19(16)22/h12H,9-11H2,1-8H3
InChIKeyCJKYKIXKQPQLKR-UHFFFAOYSA-N
XLogP3.53
TPSA69.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59919929?
The IUPAC name of CID 59919929 (CID 59919929) is not available.
What is the SMILES notation for CID 59919929?
The canonical SMILES for CID 59919929 is CCC1(C)CC(=O)N(C(=O)OC(C)(C)C)C(C)C(C)(CC)N1[O].
What is the InChIKey of CID 59919929?
The InChIKey is CJKYKIXKQPQLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N2O4/c1-9-16(7)11-13(20)18(14(21)23-15(4,5)6)12(3)17(8,10-2)19(16)22/h12H,9-11H2,1-8H3.
What are the key properties of CID 59919929?
CID 59919929 has a molecular weight of 327.45 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59919929 is sourced from PubChem (CID 59919929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).