N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide

C21H28N2O — CID 109005056

IUPACN-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-21(2,3)18-11-13-19(14-12-18)23-20(24)16-22-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,22H,7,10,15-16H2,1-3H3,(H,23,24)
InChIKeyOZALXRRDKWFOOC-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.14
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide

N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide (PubChem CID 109005056) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
PubChem CID109005056
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-21(2,3)18-11-13-19(14-12-18)23-20(24)16-22-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,22H,7,10,15-16H2,1-3H3,(H,23,24)
InChIKeyOZALXRRDKWFOOC-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.14
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-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
CID 118398481
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814556
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide (CID 109005056) is N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide is CC(C)(C)c1ccc(NC(=O)CNCCCc2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide?
The InChIKey is OZALXRRDKWFOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-21(2,3)18-11-13-19(14-12-18)23-20(24)16-22-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,22H,7,10,15-16H2,1-3H3,(H,23,24).
What are the key properties of N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide?
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide has a molecular weight of 324.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 109005056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).