CID 89283785

C20H25BN2O3 — CID 89283785

IUPAC—
SMILES[B]c1cccc2c1c(NC(=O)CC1CCCCC1)cn2CC1(O)COC1
InChIInChI=1S/C20H25BN2O3/c21-15-7-4-8-17-19(15)16(10-23(17)11-20(25)12-26-13-20)22-18(24)9-14-5-2-1-3-6-14/h4,7-8,10,14,25H,1-3,5-6,9,11-13H2,(H,22,24)
InChIKeyLCLCWGFOCPROPQ-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.11
Rot. Bonds5

About CID 89283785

CID 89283785 (PubChem CID 89283785) has the molecular formula C20H25BN2O3 and a molecular weight of 352.24 g/mol.

Molecular Properties

Compound NameCID 89283785
PubChem CID89283785
Molecular FormulaC20H25BN2O3
Molecular Weight352.24 g/mol
Exact Mass352.20
IUPAC Name—
SMILES[B]c1cccc2c1c(NC(=O)CC1CCCCC1)cn2CC1(O)COC1
InChIInChI=1S/C20H25BN2O3/c21-15-7-4-8-17-19(15)16(10-23(17)11-20(25)12-26-13-20)22-18(24)9-14-5-2-1-3-6-14/h4,7-8,10,14,25H,1-3,5-6,9,11-13H2,(H,22,24)
InChIKeyLCLCWGFOCPROPQ-UHFFFAOYSA-N
XLogP2.11
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 89283594
CID 89283594
N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide
CID 71077819
3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide
CID 71077892
N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide
CID 46940421
N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide
CID 46940238
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
N-[4-bromo-1-(1-hydroxy-3-nitrosopropan-2-yl)indol-3-yl]-2-cycloheptylacetamide
CID 89021847
N-[4-bromo-1-[(2S)-2-hydroxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-2-cycloheptylacetamide
CID 124564972
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
CID 46940686
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156

Frequently Asked Questions

What is the IUPAC name of CID 89283785?
The IUPAC name of CID 89283785 (CID 89283785) is not available.
What is the SMILES notation for CID 89283785?
The canonical SMILES for CID 89283785 is [B]c1cccc2c1c(NC(=O)CC1CCCCC1)cn2CC1(O)COC1.
What is the InChIKey of CID 89283785?
The InChIKey is LCLCWGFOCPROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BN2O3/c21-15-7-4-8-17-19(15)16(10-23(17)11-20(25)12-26-13-20)22-18(24)9-14-5-2-1-3-6-14/h4,7-8,10,14,25H,1-3,5-6,9,11-13H2,(H,22,24).
What are the key properties of CID 89283785?
CID 89283785 has a molecular weight of 352.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89283785 is sourced from PubChem (CID 89283785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).