N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide

C18H21NO2 — CID 87102955

IUPACN-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide
SMILESCC(C)(C)ON(C=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)21-19(14-20)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyJLWQXKDJNSCSAN-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.04
Rot. Bonds5

About N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide

N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide (PubChem CID 87102955) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide
PubChem CID87102955
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide
SMILESCC(C)(C)ON(C=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)21-19(14-20)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyJLWQXKDJNSCSAN-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide (CID 87102955) is N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide is CC(C)(C)ON(C=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide?
The InChIKey is JLWQXKDJNSCSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)21-19(14-20)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide?
N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide has a molecular weight of 283.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide is sourced from PubChem (CID 87102955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).