CID 102355636

C18H22NO2 — CID 102355636

IUPAC—
SMILESCOc1ccc(C(c2ccccc2)N([O])C(C)(C)C)cc1
InChIInChI=1S/C18H22NO2/c1-18(2,3)19(20)17(14-8-6-5-7-9-14)15-10-12-16(21-4)13-11-15/h5-13,17H,1-4H3
InChIKeyNWHFGWUDRWMACA-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.23
Rot. Bonds4

About CID 102355636

CID 102355636 (PubChem CID 102355636) has the molecular formula C18H22NO2 and a molecular weight of 284.38 g/mol.

Molecular Properties

Compound NameCID 102355636
PubChem CID102355636
Molecular FormulaC18H22NO2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name—
SMILESCOc1ccc(C(c2ccccc2)N([O])C(C)(C)C)cc1
InChIInChI=1S/C18H22NO2/c1-18(2,3)19(20)17(14-8-6-5-7-9-14)15-10-12-16(21-4)13-11-15/h5-13,17H,1-4H3
InChIKeyNWHFGWUDRWMACA-UHFFFAOYSA-N
XLogP4.23
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
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CID 2920507
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CID 141264274
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
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1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
CID 101481324
N-[(4-methoxyphenyl)-phenylmethyl]-2,2-diphenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of CID 102355636?
The IUPAC name of CID 102355636 (CID 102355636) is not available.
What is the SMILES notation for CID 102355636?
The canonical SMILES for CID 102355636 is COc1ccc(C(c2ccccc2)N([O])C(C)(C)C)cc1.
What is the InChIKey of CID 102355636?
The InChIKey is NWHFGWUDRWMACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2/c1-18(2,3)19(20)17(14-8-6-5-7-9-14)15-10-12-16(21-4)13-11-15/h5-13,17H,1-4H3.
What are the key properties of CID 102355636?
CID 102355636 has a molecular weight of 284.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102355636 is sourced from PubChem (CID 102355636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).