2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide

C22H30N2O — CID 118398481

IUPAC2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
SMILESCC(C)(C)c1ccc(CNCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-22(2,3)20-13-11-19(12-14-20)16-23-17-21(25)24-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,23H,7,10,15-17H2,1-3H3,(H,24,25)
InChIKeyBFULXRCZYLFUOA-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.82
Rot. Bonds8

About 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide

2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 118398481) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
PubChem CID118398481
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
SMILESCC(C)(C)c1ccc(CNCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-22(2,3)20-13-11-19(12-14-20)16-23-17-21(25)24-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,23H,7,10,15-17H2,1-3H3,(H,24,25)
InChIKeyBFULXRCZYLFUOA-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-phenylpropyl)acetamide
CID 108998701
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide (CID 118398481) is 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide is CC(C)(C)c1ccc(CNCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is BFULXRCZYLFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-22(2,3)20-13-11-19(12-14-20)16-23-17-21(25)24-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,23H,7,10,15-17H2,1-3H3,(H,24,25).
What are the key properties of 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide?
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 118398481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).