CID 140869824

C28H38NO3 — CID 140869824

IUPAC—
SMILESCCOc1ccc(C2CCC(c3ccc(C4CC(C)(C)N([O])C(C)(C)C4)cc3)CO2)cc1
InChIInChI=1S/C28H38NO3/c1-6-31-25-14-11-22(12-15-25)26-16-13-23(19-32-26)20-7-9-21(10-8-20)24-17-27(2,3)29(30)28(4,5)18-24/h7-12,14-15,23-24,26H,6,13,16-19H2,1-5H3
InChIKeyZHXNZVHABJEFJY-UHFFFAOYSA-N
MW436.62 g/mol
LogP6.80
Rot. Bonds5

About CID 140869824

CID 140869824 (PubChem CID 140869824) has the molecular formula C28H38NO3 and a molecular weight of 436.62 g/mol.

Molecular Properties

Compound NameCID 140869824
PubChem CID140869824
Molecular FormulaC28H38NO3
Molecular Weight436.62 g/mol
Exact Mass436.29
IUPAC Name—
SMILESCCOc1ccc(C2CCC(c3ccc(C4CC(C)(C)N([O])C(C)(C)C4)cc3)CO2)cc1
InChIInChI=1S/C28H38NO3/c1-6-31-25-14-11-22(12-15-25)26-16-13-23(19-32-26)20-7-9-21(10-8-20)24-17-27(2,3)29(30)28(4,5)18-24/h7-12,14-15,23-24,26H,6,13,16-19H2,1-5H3
InChIKeyZHXNZVHABJEFJY-UHFFFAOYSA-N
XLogP6.80
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dimethyl-3-phenoxypropan-1-amine
CID 24948317
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenyl]propyl]piperidine
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2,2,6,6-Tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine
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1-(4-Ethoxyphenyl)-1-(p-tolyl)-3-piperidinopropanol-hydrochloride
CID 126477233
5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-[2-[6-[(E)-prop-1-enyl]oxan-3-yl]ethyl]oxane
CID 58535298
2-But-3-enyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane
CID 58535464
5-[4-(4-Ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-[2-(6-propyloxan-3-yl)ethyl]oxane
CID 58535682
2-Ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane
CID 58535844
5-(4-Ethoxy-2,3-difluorophenyl)-2-[6-(4-propylphenyl)oxan-3-yl]oxane
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Frequently Asked Questions

What is the IUPAC name of CID 140869824?
The IUPAC name of CID 140869824 (CID 140869824) is not available.
What is the SMILES notation for CID 140869824?
The canonical SMILES for CID 140869824 is CCOc1ccc(C2CCC(c3ccc(C4CC(C)(C)N([O])C(C)(C)C4)cc3)CO2)cc1.
What is the InChIKey of CID 140869824?
The InChIKey is ZHXNZVHABJEFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38NO3/c1-6-31-25-14-11-22(12-15-25)26-16-13-23(19-32-26)20-7-9-21(10-8-20)24-17-27(2,3)29(30)28(4,5)18-24/h7-12,14-15,23-24,26H,6,13,16-19H2,1-5H3.
What are the key properties of CID 140869824?
CID 140869824 has a molecular weight of 436.62 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140869824 is sourced from PubChem (CID 140869824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).