CID 16680634

C14H14N2O2 — CID 16680634

IUPAC—
SMILESO=C(NCCNC(=O)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H14N2O2/c17-13(11-5-1-2-6-11)15-9-10-16-14(18)12-7-3-4-8-12/h1-8H,9-10H2,(H,15,17)(H,16,18)
InChIKeyGXVYRHYANBMYEM-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.03
Rot. Bonds5

About CID 16680634

CID 16680634 (PubChem CID 16680634) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol.

Molecular Properties

Compound NameCID 16680634
PubChem CID16680634
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name—
SMILESO=C(NCCNC(=O)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H14N2O2/c17-13(11-5-1-2-6-11)15-9-10-16-14(18)12-7-3-4-8-12/h1-8H,9-10H2,(H,15,17)(H,16,18)
InChIKeyGXVYRHYANBMYEM-UHFFFAOYSA-N
XLogP0.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 135080022
CID 135080022
CID 16680633
CID 16680633
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2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
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N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
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N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
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1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of CID 16680634?
The IUPAC name of CID 16680634 (CID 16680634) is not available.
What is the SMILES notation for CID 16680634?
The canonical SMILES for CID 16680634 is O=C(NCCNC(=O)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 16680634?
The InChIKey is GXVYRHYANBMYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13(11-5-1-2-6-11)15-9-10-16-14(18)12-7-3-4-8-12/h1-8H,9-10H2,(H,15,17)(H,16,18).
What are the key properties of CID 16680634?
CID 16680634 has a molecular weight of 242.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16680634 is sourced from PubChem (CID 16680634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).