CID 164582315

C20H27N3O3 — CID 164582315

IUPAC—
SMILESCc1ccc2c(c1)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C20H27N3O3/c1-13-3-4-16-15(9-13)11-23(10-14(2)12-24)20(16)7-5-19(6-8-20)17(25)21-18(26)22-19/h3-4,9,14,24H,5-8,10-12H2,1-2H3,(H2,21,22,25,26)/t14-,19?,20?/m1/s1
InChIKeyCRPAPGOCAMJLCK-WPUWVODUSA-N
MW357.45 g/mol
LogP1.79
Rot. Bonds3

About CID 164582315

CID 164582315 (PubChem CID 164582315) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol.

Molecular Properties

Compound NameCID 164582315
PubChem CID164582315
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name—
SMILESCc1ccc2c(c1)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C20H27N3O3/c1-13-3-4-16-15(9-13)11-23(10-14(2)12-24)20(16)7-5-19(6-8-20)17(25)21-18(26)22-19/h3-4,9,14,24H,5-8,10-12H2,1-2H3,(H2,21,22,25,26)/t14-,19?,20?/m1/s1
InChIKeyCRPAPGOCAMJLCK-WPUWVODUSA-N
XLogP1.79
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164582315?
The IUPAC name of CID 164582315 (CID 164582315) is not available.
What is the SMILES notation for CID 164582315?
The canonical SMILES for CID 164582315 is Cc1ccc2c(c1)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of CID 164582315?
The InChIKey is CRPAPGOCAMJLCK-WPUWVODUSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13-3-4-16-15(9-13)11-23(10-14(2)12-24)20(16)7-5-19(6-8-20)17(25)21-18(26)22-19/h3-4,9,14,24H,5-8,10-12H2,1-2H3,(H2,21,22,25,26)/t14-,19?,20?/m1/s1.
What are the key properties of CID 164582315?
CID 164582315 has a molecular weight of 357.45 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164582315 is sourced from PubChem (CID 164582315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).