CID 71714262

C22H33N4O3 — CID 71714262

IUPAC—
SMILESCC1(C)CC(NC(=O)CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC(C)(C)N1[O]
InChIInChI=1S/C22H33N4O3/c1-21(2)9-17(10-22(3,4)26(21)29)23-19(27)14-24-11-15-8-16(13-24)18-6-5-7-20(28)25(18)12-15/h5-7,15-17H,8-14H2,1-4H3,(H,23,27)/t15-,16+/m1/s1
InChIKeyWHZFLQUCEPUNHT-CVEARBPZSA-N
MW401.53 g/mol
LogP1.75
Rot. Bonds3

About CID 71714262

CID 71714262 (PubChem CID 71714262) has the molecular formula C22H33N4O3 and a molecular weight of 401.53 g/mol.

Molecular Properties

Compound NameCID 71714262
PubChem CID71714262
Molecular FormulaC22H33N4O3
Molecular Weight401.53 g/mol
Exact Mass401.26
IUPAC Name—
SMILESCC1(C)CC(NC(=O)CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC(C)(C)N1[O]
InChIInChI=1S/C22H33N4O3/c1-21(2)9-17(10-22(3,4)26(21)29)23-19(27)14-24-11-15-8-16(13-24)18-6-5-7-20(28)25(18)12-15/h5-7,15-17H,8-14H2,1-4H3,(H,23,27)/t15-,16+/m1/s1
InChIKeyWHZFLQUCEPUNHT-CVEARBPZSA-N
XLogP1.75
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 71714262?
The IUPAC name of CID 71714262 (CID 71714262) is not available.
What is the SMILES notation for CID 71714262?
The canonical SMILES for CID 71714262 is CC1(C)CC(NC(=O)CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC(C)(C)N1[O].
What is the InChIKey of CID 71714262?
The InChIKey is WHZFLQUCEPUNHT-CVEARBPZSA-N. The full InChI is InChI=1S/C22H33N4O3/c1-21(2)9-17(10-22(3,4)26(21)29)23-19(27)14-24-11-15-8-16(13-24)18-6-5-7-20(28)25(18)12-15/h5-7,15-17H,8-14H2,1-4H3,(H,23,27)/t15-,16+/m1/s1.
What are the key properties of CID 71714262?
CID 71714262 has a molecular weight of 401.53 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71714262 is sourced from PubChem (CID 71714262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).