CID 177402644

C26H32N2O2 — CID 177402644

IUPAC—
SMILESCc1cccc(C(C)C)c1N1[C]N(c2c(C)cccc2C(C)C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C26H32N2O2/c1-16(2)20-13-9-11-18(5)22(20)27-15-28(25(30)26(7,8)24(27)29)23-19(6)12-10-14-21(23)17(3)4/h9-14,16-17H,1-8H3
InChIKeyUKJDHXNEJJWSGI-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.95
Rot. Bonds4

About CID 177402644

CID 177402644 (PubChem CID 177402644) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol.

Molecular Properties

Compound NameCID 177402644
PubChem CID177402644
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name—
SMILESCc1cccc(C(C)C)c1N1[C]N(c2c(C)cccc2C(C)C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C26H32N2O2/c1-16(2)20-13-9-11-18(5)22(20)27-15-28(25(30)26(7,8)24(27)29)23-19(6)12-10-14-21(23)17(3)4/h9-14,16-17H,1-8H3
InChIKeyUKJDHXNEJJWSGI-UHFFFAOYSA-N
XLogP5.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177402644?
The IUPAC name of CID 177402644 (CID 177402644) is not available.
What is the SMILES notation for CID 177402644?
The canonical SMILES for CID 177402644 is Cc1cccc(C(C)C)c1N1[C]N(c2c(C)cccc2C(C)C)C(=O)C(C)(C)C1=O.
What is the InChIKey of CID 177402644?
The InChIKey is UKJDHXNEJJWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-16(2)20-13-9-11-18(5)22(20)27-15-28(25(30)26(7,8)24(27)29)23-19(6)12-10-14-21(23)17(3)4/h9-14,16-17H,1-8H3.
What are the key properties of CID 177402644?
CID 177402644 has a molecular weight of 404.55 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177402644 is sourced from PubChem (CID 177402644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).