N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide

C18H27NO — CID 126583594

IUPACN-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide
SMILESC/C=C(/CN(C=O)C(C)C)c1ccccc1C(C)CC
InChIInChI=1S/C18H27NO/c1-6-15(5)17-10-8-9-11-18(17)16(7-2)12-19(13-20)14(3)4/h7-11,13-15H,6,12H2,1-5H3/b16-7-
InChIKeyZOOCQBIEQUHYTF-APSNUPSMSA-N
MW273.42 g/mol
LogP4.47
Rot. Bonds7

About N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide

N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide (PubChem CID 126583594) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide
PubChem CID126583594
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide
SMILESC/C=C(/CN(C=O)C(C)C)c1ccccc1C(C)CC
InChIInChI=1S/C18H27NO/c1-6-15(5)17-10-8-9-11-18(17)16(7-2)12-19(13-20)14(3)4/h7-11,13-15H,6,12H2,1-5H3/b16-7-
InChIKeyZOOCQBIEQUHYTF-APSNUPSMSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
2-butan-2-ylphenol;formaldehyde
CID 66765994
N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide
CID 3659695
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
ethane;(2-ethoxyphenyl) 2-butan-2-ylbenzoate
CID 118039954
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
N-(2-oxopropyl)-N-propan-2-ylformamide
CID 91405611
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide
CID 89171234

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide?
The IUPAC name of N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide (CID 126583594) is N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide.
What is the SMILES notation for N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide?
The canonical SMILES for N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide is C/C=C(/CN(C=O)C(C)C)c1ccccc1C(C)CC.
What is the InChIKey of N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide?
The InChIKey is ZOOCQBIEQUHYTF-APSNUPSMSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-15(5)17-10-8-9-11-18(17)16(7-2)12-19(13-20)14(3)4/h7-11,13-15H,6,12H2,1-5H3/b16-7-.
What are the key properties of N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide?
N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide has a molecular weight of 273.42 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide is sourced from PubChem (CID 126583594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).