2-(benzylamino)-N-(4-tert-butylphenyl)acetamide

C19H24N2O — CID 108996416

IUPAC2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)16-9-11-17(12-10-16)21-18(22)14-20-13-15-7-5-4-6-8-15/h4-12,20H,13-14H2,1-3H3,(H,21,22)
InChIKeyZLFSDKZRCSLOFD-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.71
Rot. Bonds5

About 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide

2-(benzylamino)-N-(4-tert-butylphenyl)acetamide (PubChem CID 108996416) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
PubChem CID108996416
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)16-9-11-17(12-10-16)21-18(22)14-20-13-15-7-5-4-6-8-15/h4-12,20H,13-14H2,1-3H3,(H,21,22)
InChIKeyZLFSDKZRCSLOFD-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
2-(benzylamino)-N-(4-iodophenyl)acetamide
CID 2824675
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
2-[(4-hydroxyphenyl)methylamino]-N-phenylacetamide
CID 115584767
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
CID 118398481
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide
CID 155808483
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide (CID 108996416) is 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)CNCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is ZLFSDKZRCSLOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2,3)16-9-11-17(12-10-16)21-18(22)14-20-13-15-7-5-4-6-8-15/h4-12,20H,13-14H2,1-3H3,(H,21,22).
What are the key properties of 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide?
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 108996416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).