CID 101156417

C22H41N4O4 — CID 101156417

IUPAC—
SMILESCC(=O)NC1(C(=O)N[C@](C)(C(=O)NC(C)(C)C)C(C)C)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C22H41N4O4/c1-14(2)21(11,16(28)24-18(4,5)6)25-17(29)22(23-15(3)27)12-19(7,8)26(30)20(9,10)13-22/h14H,12-13H2,1-11H3,(H,23,27)(H,24,28)(H,25,29)/t21-/m0/s1
InChIKeyZAZVVPOXNHJMGD-NRFANRHFSA-N
MW425.59 g/mol
LogP2.31
Rot. Bonds5

About CID 101156417

CID 101156417 (PubChem CID 101156417) has the molecular formula C22H41N4O4 and a molecular weight of 425.59 g/mol.

Molecular Properties

Compound NameCID 101156417
PubChem CID101156417
Molecular FormulaC22H41N4O4
Molecular Weight425.59 g/mol
Exact Mass425.31
IUPAC Name—
SMILESCC(=O)NC1(C(=O)N[C@](C)(C(=O)NC(C)(C)C)C(C)C)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C22H41N4O4/c1-14(2)21(11,16(28)24-18(4,5)6)25-17(29)22(23-15(3)27)12-19(7,8)26(30)20(9,10)13-22/h14H,12-13H2,1-11H3,(H,23,27)(H,24,28)(H,25,29)/t21-/m0/s1
InChIKeyZAZVVPOXNHJMGD-NRFANRHFSA-N
XLogP2.31
TPSA110.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 101156417?
The IUPAC name of CID 101156417 (CID 101156417) is not available.
What is the SMILES notation for CID 101156417?
The canonical SMILES for CID 101156417 is CC(=O)NC1(C(=O)N[C@](C)(C(=O)NC(C)(C)C)C(C)C)CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 101156417?
The InChIKey is ZAZVVPOXNHJMGD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H41N4O4/c1-14(2)21(11,16(28)24-18(4,5)6)25-17(29)22(23-15(3)27)12-19(7,8)26(30)20(9,10)13-22/h14H,12-13H2,1-11H3,(H,23,27)(H,24,28)(H,25,29)/t21-/m0/s1.
What are the key properties of CID 101156417?
CID 101156417 has a molecular weight of 425.59 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101156417 is sourced from PubChem (CID 101156417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).