CID 100998329

C18H22NO2 — CID 100998329

IUPAC—
SMILESCC(C)(C)N([O])C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H22NO2/c1-18(2,3)19(21)16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17,20H,1-3H3
InChIKeyKFSZRBYAAMDILW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.91
Rot. Bonds4

About CID 100998329

CID 100998329 (PubChem CID 100998329) has the molecular formula C18H22NO2 and a molecular weight of 284.38 g/mol.

Molecular Properties

Compound NameCID 100998329
PubChem CID100998329
Molecular FormulaC18H22NO2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name—
SMILESCC(C)(C)N([O])C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H22NO2/c1-18(2,3)19(21)16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17,20H,1-3H3
InChIKeyKFSZRBYAAMDILW-UHFFFAOYSA-N
XLogP3.91
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 102355634
CID 102355634
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1,2-diphenylethane-1,2-diol
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methyl N-[(S)-tert-butylsulfinyl]-N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]carbamate
CID 11360868
(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid
CID 161238687
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
CID 134544444
N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 58983683
2-[2-hydroxyethyl(methyl)amino]-1,2-diphenylethanol
CID 14391199
(1S)-1,2,2-triphenylethanol
CID 38988933
1,2,3-triphenylpropane-1,3-diol
CID 59738959
CID 132607463
CID 132607463

Frequently Asked Questions

What is the IUPAC name of CID 100998329?
The IUPAC name of CID 100998329 (CID 100998329) is not available.
What is the SMILES notation for CID 100998329?
The canonical SMILES for CID 100998329 is CC(C)(C)N([O])C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of CID 100998329?
The InChIKey is KFSZRBYAAMDILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2/c1-18(2,3)19(21)16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17,20H,1-3H3.
What are the key properties of CID 100998329?
CID 100998329 has a molecular weight of 284.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100998329 is sourced from PubChem (CID 100998329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).