CID 89318794

C19H22BNO2 — CID 89318794

IUPAC—
SMILES[B]C(Cc1ccc(CCCc2ccc(CC)cn2)cc1)C(=O)O
InChIInChI=1S/C19H22BNO2/c1-2-14-10-11-17(21-13-14)5-3-4-15-6-8-16(9-7-15)12-18(20)19(22)23/h6-11,13,18H,2-5,12H2,1H3,(H,22,23)
InChIKeyPROUJBSDXCIAIC-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.40
Rot. Bonds8

About CID 89318794

CID 89318794 (PubChem CID 89318794) has the molecular formula C19H22BNO2 and a molecular weight of 307.20 g/mol.

Molecular Properties

Compound NameCID 89318794
PubChem CID89318794
Molecular FormulaC19H22BNO2
Molecular Weight307.20 g/mol
Exact Mass307.17
IUPAC Name—
SMILES[B]C(Cc1ccc(CCCc2ccc(CC)cn2)cc1)C(=O)O
InChIInChI=1S/C19H22BNO2/c1-2-14-10-11-17(21-13-14)5-3-4-15-6-8-16(9-7-15)12-18(20)19(22)23/h6-11,13,18H,2-5,12H2,1H3,(H,22,23)
InChIKeyPROUJBSDXCIAIC-UHFFFAOYSA-N
XLogP3.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
CID 142964377
(E)-4-[4-[3-(5-ethyl-2-pyridinyl)propyl]phenyl]-3-methylbut-3-en-2-one;propan-2-one
CID 142872927
(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 67367096
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
2-carbamoylsulfanyl-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 58629732
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
2-[2-ethoxy-3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
CID 67697450
5-(5-ethyl-2-pyridinyl)-N-methylpentan-2-amine
CID 79737887
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
S-[1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propan-2-yl] N-formylcarbamothioate
CID 134221784
(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
CID 125488024

Frequently Asked Questions

What is the IUPAC name of CID 89318794?
The IUPAC name of CID 89318794 (CID 89318794) is not available.
What is the SMILES notation for CID 89318794?
The canonical SMILES for CID 89318794 is [B]C(Cc1ccc(CCCc2ccc(CC)cn2)cc1)C(=O)O.
What is the InChIKey of CID 89318794?
The InChIKey is PROUJBSDXCIAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BNO2/c1-2-14-10-11-17(21-13-14)5-3-4-15-6-8-16(9-7-15)12-18(20)19(22)23/h6-11,13,18H,2-5,12H2,1H3,(H,22,23).
What are the key properties of CID 89318794?
CID 89318794 has a molecular weight of 307.20 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89318794 is sourced from PubChem (CID 89318794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).