N-(2-methyl-2-phenylbutyl)formamide

C12H17NO — CID 149429107

IUPACN-(2-methyl-2-phenylbutyl)formamide
SMILESCCC(C)(CNC=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-12(2,9-13-10-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)
InChIKeyYURVOWZKINGNND-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.10
Rot. Bonds5

About N-(2-methyl-2-phenylbutyl)formamide

N-(2-methyl-2-phenylbutyl)formamide (PubChem CID 149429107) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-methyl-2-phenylbutyl)formamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylbutyl)formamide
PubChem CID149429107
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-methyl-2-phenylbutyl)formamide
SMILESCCC(C)(CNC=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-12(2,9-13-10-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)
InChIKeyYURVOWZKINGNND-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylpentan-3-ylbenzene
CID 90745317
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
(3R)-3-methyl-1,3-diphenylpentan-1-one
CID 102205590
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032
N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
CID 110477170
6-methyl-6-phenyloctan-4-one
CID 142684027
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
(2R)-2-fluoro-2-phenylbutanal
CID 130623517

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylbutyl)formamide?
The IUPAC name of N-(2-methyl-2-phenylbutyl)formamide (CID 149429107) is N-(2-methyl-2-phenylbutyl)formamide.
What is the SMILES notation for N-(2-methyl-2-phenylbutyl)formamide?
The canonical SMILES for N-(2-methyl-2-phenylbutyl)formamide is CCC(C)(CNC=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylbutyl)formamide?
The InChIKey is YURVOWZKINGNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(2,9-13-10-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methyl-2-phenylbutyl)formamide?
N-(2-methyl-2-phenylbutyl)formamide has a molecular weight of 191.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylbutyl)formamide is sourced from PubChem (CID 149429107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).