CID 59369544

C14H19NO2 — CID 59369544

IUPAC—
SMILES[CH]c1cc(C(=O)N(CC)CC)cc(C(C)O)c1
InChIInChI=1S/C14H19NO2/c1-5-15(6-2)14(17)13-8-10(3)7-12(9-13)11(4)16/h3,7-9,11,16H,5-6H2,1-2,4H3
InChIKeyXQFFNHFJPSRFPZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.28
Rot. Bonds4

About CID 59369544

CID 59369544 (PubChem CID 59369544) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol.

Molecular Properties

Compound NameCID 59369544
PubChem CID59369544
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name—
SMILES[CH]c1cc(C(=O)N(CC)CC)cc(C(C)O)c1
InChIInChI=1S/C14H19NO2/c1-5-15(6-2)14(17)13-8-10(3)7-12(9-13)11(4)16/h3,7-9,11,16H,5-6H2,1-2,4H3
InChIKeyXQFFNHFJPSRFPZ-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
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4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
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3-ethenyl-N,N-diethyl-5-nitrobenzamide
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N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
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1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
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CID 174412487

Frequently Asked Questions

What is the IUPAC name of CID 59369544?
The IUPAC name of CID 59369544 (CID 59369544) is not available.
What is the SMILES notation for CID 59369544?
The canonical SMILES for CID 59369544 is [CH]c1cc(C(=O)N(CC)CC)cc(C(C)O)c1.
What is the InChIKey of CID 59369544?
The InChIKey is XQFFNHFJPSRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-15(6-2)14(17)13-8-10(3)7-12(9-13)11(4)16/h3,7-9,11,16H,5-6H2,1-2,4H3.
What are the key properties of CID 59369544?
CID 59369544 has a molecular weight of 233.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369544 is sourced from PubChem (CID 59369544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).