CID 134840608

C15H22NO2 — CID 134840608

IUPAC—
SMILESCCOC(C)C[C](C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C15H22NO2/c1-5-18-13(3)11-12(2)15(17)16(4)14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3
InChIKeyXYRXDWQSXYKUQX-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.06
Rot. Bonds6

About CID 134840608

CID 134840608 (PubChem CID 134840608) has the molecular formula C15H22NO2 and a molecular weight of 248.35 g/mol.

Molecular Properties

Compound NameCID 134840608
PubChem CID134840608
Molecular FormulaC15H22NO2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC Name—
SMILESCCOC(C)C[C](C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C15H22NO2/c1-5-18-13(3)11-12(2)15(17)16(4)14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3
InChIKeyXYRXDWQSXYKUQX-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(N-methylanilino)pentan-2-one
CID 64697699
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
CID 135034827
CID 135034827
3-ethoxybutanoic acid
CID 20508399
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
sodium;diphenylmethanone;2-ethoxypropan-1-olate
CID 23675703
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
3-(N-methylanilino)butanoic acid
CID 72755664

Frequently Asked Questions

What is the IUPAC name of CID 134840608?
The IUPAC name of CID 134840608 (CID 134840608) is not available.
What is the SMILES notation for CID 134840608?
The canonical SMILES for CID 134840608 is CCOC(C)C[C](C)C(=O)N(C)c1ccccc1.
What is the InChIKey of CID 134840608?
The InChIKey is XYRXDWQSXYKUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO2/c1-5-18-13(3)11-12(2)15(17)16(4)14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3.
What are the key properties of CID 134840608?
CID 134840608 has a molecular weight of 248.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134840608 is sourced from PubChem (CID 134840608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).