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

C20H25N3O2 — CID 24559411

IUPAC2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-9-11-17(12-10-16)23-18(24)14-22-19(25)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyKTRYCTVQJNPONL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds5

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

2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide (PubChem CID 24559411) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
PubChem CID24559411
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-9-11-17(12-10-16)23-18(24)14-22-19(25)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyKTRYCTVQJNPONL-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide (CID 24559411) is 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)CNC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is KTRYCTVQJNPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)16-9-11-17(12-10-16)23-18(24)14-22-19(25)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,23,24)(H2,21,22,25).
What are the key properties of 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide?
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 24559411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).