CID 100849294

C30H27N3O3 — CID 100849294

IUPAC—
SMILESCc1ccc(C(=O)[C@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C30H27N3O3/c1-17-12-14-19(15-13-17)26(34)24-23-11-6-16-33(23)30(21-9-5-7-18(2)25(21)32-28(30)36)29(24)20-8-3-4-10-22(20)31-27(29)35/h3-5,7-10,12-15,23-24H,6,11,16H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,29+,30-/m1/s1
InChIKeyXBZFWBUPXLINMY-IECCPQQKSA-N
MW477.56 g/mol
LogP4.32
Rot. Bonds2

About CID 100849294

CID 100849294 (PubChem CID 100849294) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol.

Molecular Properties

Compound NameCID 100849294
PubChem CID100849294
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name—
SMILESCc1ccc(C(=O)[C@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C30H27N3O3/c1-17-12-14-19(15-13-17)26(34)24-23-11-6-16-33(23)30(21-9-5-7-18(2)25(21)32-28(30)36)29(24)20-8-3-4-10-22(20)31-27(29)35/h3-5,7-10,12-15,23-24H,6,11,16H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,29+,30-/m1/s1
InChIKeyXBZFWBUPXLINMY-IECCPQQKSA-N
XLogP4.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze CID 100849294 with MolForge

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

Launch Full Analysis

Related Compounds

CID 4839291
CID 4839291
CID 98362147
CID 98362147
CID 4964597
CID 4964597
CID 100848677
CID 100848677
CID 100849057
CID 100849057
CID 40916467
CID 40916467
CID 4910196
CID 4910196
CID 98165796
CID 98165796
CID 98165810
CID 98165810
CID 51704588
CID 51704588
CID 124828007
CID 124828007
CID 98363394
CID 98363394

Frequently Asked Questions

What is the IUPAC name of CID 100849294?
The IUPAC name of CID 100849294 (CID 100849294) is not available.
What is the SMILES notation for CID 100849294?
The canonical SMILES for CID 100849294 is Cc1ccc(C(=O)[C@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@]23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of CID 100849294?
The InChIKey is XBZFWBUPXLINMY-IECCPQQKSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-17-12-14-19(15-13-17)26(34)24-23-11-6-16-33(23)30(21-9-5-7-18(2)25(21)32-28(30)36)29(24)20-8-3-4-10-22(20)31-27(29)35/h3-5,7-10,12-15,23-24H,6,11,16H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,29+,30-/m1/s1.
What are the key properties of CID 100849294?
CID 100849294 has a molecular weight of 477.56 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100849294 is sourced from PubChem (CID 100849294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).