CID 71043377

C14H21BN3O3 — CID 71043377

IUPAC—
SMILESCCOC(=O)Nc1cccc(N2CCN([B]OC)CC2)c1
InChIInChI=1S/C14H21BN3O3/c1-3-21-14(19)16-12-5-4-6-13(11-12)17-7-9-18(10-8-17)15-20-2/h4-6,11H,3,7-10H2,1-2H3,(H,16,19)
InChIKeyNUWFLJVPLLWHSK-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.56
Rot. Bonds5

About CID 71043377

CID 71043377 (PubChem CID 71043377) has the molecular formula C14H21BN3O3 and a molecular weight of 290.15 g/mol.

Molecular Properties

Compound NameCID 71043377
PubChem CID71043377
Molecular FormulaC14H21BN3O3
Molecular Weight290.15 g/mol
Exact Mass290.17
IUPAC Name—
SMILESCCOC(=O)Nc1cccc(N2CCN([B]OC)CC2)c1
InChIInChI=1S/C14H21BN3O3/c1-3-21-14(19)16-12-5-4-6-13(11-12)17-7-9-18(10-8-17)15-20-2/h4-6,11H,3,7-10H2,1-2H3,(H,16,19)
InChIKeyNUWFLJVPLLWHSK-UHFFFAOYSA-N
XLogP1.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethyl N-(3-pyrazol-1-ylphenyl)carbamate
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[3-(ethoxycarbonylamino)phenyl]carbamic acid
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ethyl N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]carbamate
CID 12838128
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ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
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2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 71043377?
The IUPAC name of CID 71043377 (CID 71043377) is not available.
What is the SMILES notation for CID 71043377?
The canonical SMILES for CID 71043377 is CCOC(=O)Nc1cccc(N2CCN([B]OC)CC2)c1.
What is the InChIKey of CID 71043377?
The InChIKey is NUWFLJVPLLWHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BN3O3/c1-3-21-14(19)16-12-5-4-6-13(11-12)17-7-9-18(10-8-17)15-20-2/h4-6,11H,3,7-10H2,1-2H3,(H,16,19).
What are the key properties of CID 71043377?
CID 71043377 has a molecular weight of 290.15 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71043377 is sourced from PubChem (CID 71043377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).