CID 59369605

C12H15NO — CID 59369605

IUPAC—
SMILES[CH]c1ccccc1C(=O)N(CC)CC
InChIInChI=1S/C12H15NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h3,6-9H,4-5H2,1-2H3
InChIKeyGKQJJTXVYDUDHO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.23
Rot. Bonds3

About CID 59369605

CID 59369605 (PubChem CID 59369605) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol.

Molecular Properties

Compound NameCID 59369605
PubChem CID59369605
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name—
SMILES[CH]c1ccccc1C(=O)N(CC)CC
InChIInChI=1S/C12H15NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h3,6-9H,4-5H2,1-2H3
InChIKeyGKQJJTXVYDUDHO-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59893455
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CID 173020221
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
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2-(ethenylamino)-N,N-diethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of CID 59369605?
The IUPAC name of CID 59369605 (CID 59369605) is not available.
What is the SMILES notation for CID 59369605?
The canonical SMILES for CID 59369605 is [CH]c1ccccc1C(=O)N(CC)CC.
What is the InChIKey of CID 59369605?
The InChIKey is GKQJJTXVYDUDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h3,6-9H,4-5H2,1-2H3.
What are the key properties of CID 59369605?
CID 59369605 has a molecular weight of 189.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369605 is sourced from PubChem (CID 59369605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).