N-[2-(4-phenylphenyl)butan-2-yloxy]formamide

C17H19NO2 — CID 54498717

IUPACN-[2-(4-phenylphenyl)butan-2-yloxy]formamide
SMILESCCC(C)(ONC=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-17(2,20-18-13-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyFDOGEYSMELVLNP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(4-phenylphenyl)butan-2-yloxy]formamide

N-[2-(4-phenylphenyl)butan-2-yloxy]formamide (PubChem CID 54498717) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)butan-2-yloxy]formamide.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)butan-2-yloxy]formamide
PubChem CID54498717
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[2-(4-phenylphenyl)butan-2-yloxy]formamide
SMILESCCC(C)(ONC=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-17(2,20-18-13-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyFDOGEYSMELVLNP-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
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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Related Compounds

2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde
CID 115223529
2-(4-phenylphenyl)-2-sulfanylbutanoic acid
CID 87170699
2-hydroperoxybutan-2-ylbenzene
CID 15510207
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide
CID 69092136
2-(4-phenylphenyl)propan-2-yloxymethanamine
CID 155337382
4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
N-(methoxymethyl)-2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 115259169
2-fluoro-2-(4-phenylphenyl)butan-1-amine
CID 112566065
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)butan-2-yloxy]formamide?
The IUPAC name of N-[2-(4-phenylphenyl)butan-2-yloxy]formamide (CID 54498717) is N-[2-(4-phenylphenyl)butan-2-yloxy]formamide.
What is the SMILES notation for N-[2-(4-phenylphenyl)butan-2-yloxy]formamide?
The canonical SMILES for N-[2-(4-phenylphenyl)butan-2-yloxy]formamide is CCC(C)(ONC=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenyl)butan-2-yloxy]formamide?
The InChIKey is FDOGEYSMELVLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-17(2,20-18-13-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-phenylphenyl)butan-2-yloxy]formamide?
N-[2-(4-phenylphenyl)butan-2-yloxy]formamide has a molecular weight of 269.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)butan-2-yloxy]formamide is sourced from PubChem (CID 54498717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).