N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide

C21H27NO2 — CID 56522602

IUPACN-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(2)16-24-15-14-20(23)22-21(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyLCWAPMVFBLJUPN-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.13
Rot. Bonds8

About N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide

N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide (PubChem CID 56522602) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide
PubChem CID56522602
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(2)16-24-15-14-20(23)22-21(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyLCWAPMVFBLJUPN-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide (CID 56522602) is N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)NC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide?
The InChIKey is LCWAPMVFBLJUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17(2)16-24-15-14-20(23)22-21(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3,(H,22,23).
What are the key properties of N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide?
N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 56522602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).