CID 74007392

C27H40N2O6 — CID 74007392

IUPAC—
SMILESCC1(C)CC(OC(=O)C23C4CC5C(C42)C53C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C27H40N2O6/c1-22(2)10-14(11-23(3,4)28(22)32)34-20(30)26-16-9-17-19(18(16)26)27(17,26)21(31)35-15-12-24(5,6)29(33)25(7,8)13-15/h14-19H,9-13H2,1-8H3
InChIKeyMRLKZJPRCHVXQO-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.69
Rot. Bonds4

About CID 74007392

CID 74007392 (PubChem CID 74007392) has the molecular formula C27H40N2O6 and a molecular weight of 488.63 g/mol.

Molecular Properties

Compound NameCID 74007392
PubChem CID74007392
Molecular FormulaC27H40N2O6
Molecular Weight488.63 g/mol
Exact Mass488.29
IUPAC Name—
SMILESCC1(C)CC(OC(=O)C23C4CC5C(C42)C53C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C27H40N2O6/c1-22(2)10-14(11-23(3,4)28(22)32)34-20(30)26-16-9-17-19(18(16)26)27(17,26)21(31)35-15-12-24(5,6)29(33)25(7,8)13-15/h14-19H,9-13H2,1-8H3
InChIKeyMRLKZJPRCHVXQO-UHFFFAOYSA-N
XLogP3.69
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze CID 74007392 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 74007392?
The IUPAC name of CID 74007392 (CID 74007392) is not available.
What is the SMILES notation for CID 74007392?
The canonical SMILES for CID 74007392 is CC1(C)CC(OC(=O)C23C4CC5C(C42)C53C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O].
What is the InChIKey of CID 74007392?
The InChIKey is MRLKZJPRCHVXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O6/c1-22(2)10-14(11-23(3,4)28(22)32)34-20(30)26-16-9-17-19(18(16)26)27(17,26)21(31)35-15-12-24(5,6)29(33)25(7,8)13-15/h14-19H,9-13H2,1-8H3.
What are the key properties of CID 74007392?
CID 74007392 has a molecular weight of 488.63 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 74007392 is sourced from PubChem (CID 74007392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).