N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide

C21H27NO — CID 175939468

IUPACN-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide
SMILESCN(C=O)C(C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C21H27NO/c1-20(2,17-12-8-6-9-13-17)19(22(5)16-23)21(3,4)18-14-10-7-11-15-18/h6-16,19H,1-5H3
InChIKeyVAXONLKDYBLEFE-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.40
Rot. Bonds6

About N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide

N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide (PubChem CID 175939468) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide
PubChem CID175939468
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide
SMILESCN(C=O)C(C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C21H27NO/c1-20(2,17-12-8-6-9-13-17)19(22(5)16-23)21(3,4)18-14-10-7-11-15-18/h6-16,19H,1-5H3
InChIKeyVAXONLKDYBLEFE-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide?
The IUPAC name of N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide (CID 175939468) is N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide.
What is the SMILES notation for N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide?
The canonical SMILES for N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide is CN(C=O)C(C(C)(C)c1ccccc1)C(C)(C)c1ccccc1.
What is the InChIKey of N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide?
The InChIKey is VAXONLKDYBLEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-20(2,17-12-8-6-9-13-17)19(22(5)16-23)21(3,4)18-14-10-7-11-15-18/h6-16,19H,1-5H3.
What are the key properties of N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide?
N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide has a molecular weight of 309.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-2,4-diphenylpentan-3-yl)-N-methylformamide is sourced from PubChem (CID 175939468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).